Geometry & MOs

Info

ID:	38613
PubChem CID:	8137249
Reduced:	SN3O5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-160.76
Dipole, Da:	5.89
IP(EA), eV:	-9.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations