Geometry & MOs

Info

ID:	245080
PubChem CID:	99437380
Reduced:	N2O3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	2.29
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-methoxyphenyl)methyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations