Geometry & MOs

Info

ID:	434561
PubChem CID:	135175214
Reduced:	BrSF2O3N5C24H32 (1)
Stoich.:	ABC2D3E5F24G32 (1)
Weight, g/mol:	649.15338
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	4.55
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-2-(cyclopentylmethyl)indazole-5-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

C[C@H](C(C)(C=C)C(C(C(=O)N1C2CCC1CC(C2)N)NS(=O)(=O)C3=CC4=CN(N=C4C=C3)C)(F)F)Br

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

C[C@H](C(C)(C=C)C(C(C(=O)N1C2CCC1CC(C2)N)NS(=O)(=O)C3=CC4=CN(N=C4C=C3)C)(F)F)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):