Geometry & MOs

Info

ID:	30454
PubChem CID:	841355
Reduced:	ClO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	296.01864
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	6.17
IP(EA), eV:	-9.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations