Geometry & MOs

Info

ID:	328191
PubChem CID:	126696008
Reduced:	SO7N9C41H53 (1)
Stoich.:	AB7C9D41E53 (1)
Weight, g/mol:	438.208947
ΔH_f, kcal/mol:	-207.72
Dipole, Da:	6.73
IP(EA), eV:	-8.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[3-(methylsulfonimidoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1NC2=NC=NC3=CC(=C(C=C32)S(=O)(=O)C(C)(C)C)OCCN4CCN(CC4)CCOCCCC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)C

DOS

IR

Vibrations