Geometry & MOs

Info

ID:

45025

PubChem CID:

10507278

Reduced:

N2O5C35H42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

571.223784

ΔHf, kcal/mol:

-156.0

Dipole, Da:

3.51

IP(EA), eV:

 -9.07(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[1-[3-[(2-chloro-4-cyanobenzoyl)amino]-2,2-dimethyl-3-phenylpropanoyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/CNC(=O)C4=CC=CC=C4)OC)C)OC(=O)NC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations