Geometry & MOs

Info

ID:	434675
PubChem CID:	135175468
Reduced:	BrSF2N3O4C28H30 (1)
Stoich.:	ABC2D3E4F28G30 (1)
Weight, g/mol:	649.14215
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	5.46
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-[(2S)-butan-2-yl]oxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CC[C@H](C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CC[C@H](C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):