Geometry & MOs

Info

ID:	30360
PubChem CID:	841192
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	5.02
IP(EA), eV:	-8.72(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=NNC(=O)[C@@H](C)OC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations