Geometry & MOs

Info

ID:

307596

PubChem CID:

125307671

Reduced:

O2N3C27H29 (1)

Stoich.:

A2B3C27D29 (1)

Weight, g/mol:

521.151762

ΔHf, kcal/mol:

-7.68

Dipole, Da:

3.55

IP(EA), eV:

 -8.92(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC4=C2C(=O)CC(C4)(C)C)NN(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations