Geometry & MOs

Info

ID:	27822
PubChem CID:	823740
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	347.076219
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	7.71
IP(EA), eV:	-8.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(butanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)NN=CC2=CC(=C(C=C2)O)OC)C

DOS

IR

Vibrations