Geometry & MOs

Info

ID:	30480
PubChem CID:	841396
Reduced:	NOC4H4 (4)
Stoich.:	ABC4D4 (4)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	1.97
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N=NC(=O)C2=CC(=C(C=C2)C)N(O)O

DOS

IR

Vibrations