Geometry & MOs

Info

ID:	38665
PubChem CID:	8137370
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-175.63
Dipole, Da:	3.81
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OCC(=O)N(C)CC(=O)NC2CC2)NC(=O)C3CC3)C

DOS

IR

Vibrations