Geometry & MOs

Info

ID:	366115
PubChem CID:	127319476
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	330.070799
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	8.97
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1,1-dioxothian-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)NC4CCCS(=O)(=O)C4

DOS

IR

Vibrations