Geometry & MOs

Info

ID:	161859
PubChem CID:	57392870
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	8.0
IP(EA), eV:	-8.32(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C(=C\C#N)/C2=CC(=C(C=C2)OC)OC(=O)N(C)C)OC

DOS

IR

Vibrations