Geometry & MOs

Info

ID:

17734

PubChem CID:

515746

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-182.8

Dipole, Da:

3.18

IP(EA), eV:

 -9.3(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-3-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-2-[[(5-methoxypyridin-3-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CC=C3)O)NC(=O)N(C)CC4=CC(=CN=C4)OC

DOS

IR

Vibrations