Geometry & MOs

Info

ID:

127306

PubChem CID:

50997726

Reduced:

N5O7C27H29 (1)

Stoich.:

A5B7C27D29 (1)

Weight, g/mol:

522.222683

ΔHf, kcal/mol:

-220.49

Dipole, Da:

8.38

IP(EA), eV:

 -9.07(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C(=O)C2=CC(=CC=C2)N3CCO[C@@H](C3=O)[C@H](C(=O)NC4=CC5=C(C=C4)C(=NC5)N)O

DOS

IR

Vibrations