Geometry & MOs

Info

ID:	307273
PubChem CID:	125299319
Reduced:	ClSN4O6C18H21 (1)
Stoich.:	ABC4D6E18F21 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	-221.59
Dipole, Da:	6.88
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-5-(2,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)NC(=O)[C@H]1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations