Geometry & MOs

Info

ID:

16437

PubChem CID:

469112

Reduced:

O4N6C35H48 (1)

Stoich.:

A4B6C35D48 (1)

Weight, g/mol:

616.373704

ΔHf, kcal/mol:

-132.16

Dipole, Da:

3.91

IP(EA), eV:

 -8.24(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-1-[(2S,4S)-4-(1,2-dihydropyridin-4-ylmethyl)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CCNC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

DOS

IR

Vibrations