Geometry & MOs

Info

ID:	57952
PubChem CID:	24398014
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	421.076409
ΔH_f, kcal/mol:	-8.12
Dipole, Da:	5.41
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(4-chloro-2-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

DOS

IR

Vibrations