Geometry & MOs

Info

ID:	369100
PubChem CID:	127331260
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	0.72
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations