Geometry & MOs

Info

ID:	131237
PubChem CID:	51179920
Reduced:	S2O3N5H15C16 (1)
Stoich.:	A2B3C5D15E16 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	51.8
Dipole, Da:	4.24
IP(EA), eV:	-9.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[ethyl(phenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=CS3

DOS

IR

Vibrations