Geometry & MOs

Info

ID:	140558
PubChem CID:	52718008
Reduced:	SN3O4C25H39 (1)
Stoich.:	AB3C4D25E39 (1)
Weight, g/mol:	343.128054
ΔH_f, kcal/mol:	-195.29
Dipole, Da:	6.49
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)[C@H](CC(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations