Geometry & MOs

Info

ID:	347272
PubChem CID:	127272066
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	4.86
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(azepan-1-yl)-3-oxopropyl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)CNC(=O)C3=CC4=C(S3)CCCC4

DOS

IR

Vibrations