Geometry & MOs

Info

ID:

245081

PubChem CID:

99437382

Reduced:

SN3O6C25H29 (1)

Stoich.:

AB3C6D25E29 (1)

Weight, g/mol:

499.177707

ΔHf, kcal/mol:

-169.91

Dipole, Da:

2.06

IP(EA), eV:

 -8.97(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R)-3-[[(3S)-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)N(CC2=CC=C(C=C2)OC)[C@@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations