Geometry & MOs

Info

ID:

308381

PubChem CID:

125326739

Reduced:

S2N5O10C26H41 (1)

Stoich.:

A2B5C10D26E41 (1)

Weight, g/mol:

473.05863

ΔHf, kcal/mol:

-416.78

Dipole, Da:

4.04

IP(EA), eV:

 -9.19(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)O

DOS

IR

Vibrations