Geometry & MOs

Info

ID:	369087
PubChem CID:	127331244
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	355.102434
ΔH_f, kcal/mol:	-75.19
Dipole, Da:	4.69
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations