Geometry & MOs

Info

ID:	245090
PubChem CID:	99437425
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.05
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-(2-methylsulfonylethylcarbamoyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)NC)C3=CC=CC=C3

DOS

IR

Vibrations