Geometry & MOs

Info

ID:	137459
PubChem CID:	52210990
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	4.99
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations