Geometry & MOs

Info

ID:

185056

PubChem CID:

77249501

Reduced:

N2O3C18H28 (1)

Stoich.:

A2B3C18D28 (1)

Weight, g/mol:

677.306078

ΔHf, kcal/mol:

-158.24

Dipole, Da:

5.58

IP(EA), eV:

 -9.24(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[2-cyano-5-[[2-hydroxy-2-[3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)CC(C)C)OC(=O)N

DOS

IR

Vibrations