Geometry & MOs

Info

ID:	61759
PubChem CID:	26712571
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-152.38
Dipole, Da:	4.45
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations