Geometry & MOs

Info

ID:

16332

PubChem CID:

464699

Reduced:

SN4O4H36C37 (1)

Stoich.:

AB4C4D36E37 (1)

Weight, g/mol:

632.245727

ΔHf, kcal/mol:

-40.63

Dipole, Da:

3.08

IP(EA), eV:

 -9.22(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-thiazol-2-yl)-3-[[(4R,5S,6S,7R)-3,4,7-tribenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)C(=O)NC5=NC=CS5)CC6=CC=CC=C6)O)O

DOS

IR

Vibrations