Geometry & MOs

Info

ID:

429271

PubChem CID:

135169175

Reduced:

Cl2O3N6C26H26 (1)

Stoich.:

A2B3C6D26E26 (1)

Weight, g/mol:

615.305684

ΔHf, kcal/mol:

-50.51

Dipole, Da:

3.95

IP(EA), eV:

 -8.9(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(2S,3R)-2-(ethylcarbamoyl)-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-3-yl]methyl]pyridin-2-yl]-N-[(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C=CC(=C1)Cl)Cl)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations