Geometry & MOs

Info

ID:	434632
PubChem CID:	135175373
Reduced:	BrSF3N3O4H27C28 (1)
Stoich.:	ABC3D3E4F27G28 (1)
Weight, g/mol:	637.08577
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	9.42
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-(4-fluorophenoxy)benzenesulfonamide

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

C1CC2CC(CC1N2C(=O)[C@@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)F)N

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

C1CC2CC(CC1N2C(=O)[C@@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):