Geometry & MOs

Info

ID:	137992
PubChem CID:	52296355
Reduced:	SN3O6C17H21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-222.22
Dipole, Da:	11.2
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC)S(=O)(=O)CC2=CC(=O)N(C(=O)N2C)C

DOS

IR

Vibrations