Geometry & MOs

Info

ID:	330538
PubChem CID:	127247945
Reduced:	SN3O4C15H27 (1)
Stoich.:	AB3C4D15E27 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	8.33
IP(EA), eV:	-9.29(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(1-benzothiophen-2-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations