Geometry & MOs

Info

ID:	136233
PubChem CID:	52004048
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	376.120526
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	6.59
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-5-[(2-phenylacetyl)amino]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NC[C@H]2CCCO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations