Geometry & MOs

Info

ID:

432763

PubChem CID:

135172900

Reduced:

N6O11C51H76 (1)

Stoich.:

A6B11C51D76 (1)

Weight, g/mol:

610.231516

ΔHf, kcal/mol:

-429.68

Dipole, Da:

7.84

IP(EA), eV:

 -9.11(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (Z)-2-[[3-hydroxy-1-[[4-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]phenyl]methyl]-2-oxoindol-3-yl]methyl]but-2-enoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](C[C@H]2C1=C2C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O

DOS

IR

Vibrations