Geometry & MOs

Info

ID:	357182
PubChem CID:	127293686
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	9.25
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations