Geometry & MOs

Info

ID:	31585
PubChem CID:	855903
Reduced:	NSO2H17C20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	1.15
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations