Geometry & MOs

Info

ID:	369103
PubChem CID:	127331263
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	6.27
IP(EA), eV:	-8.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations