Geometry & MOs

Info

ID:

181310

PubChem CID:

76729705

Reduced:

N5O14C22H39 (1)

Stoich.:

A5B14C22D39 (1)

Weight, g/mol:

752.279919

ΔHf, kcal/mol:

-591.33

Dipole, Da:

9.04

IP(EA), eV:

 -8.72(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzoxazol-2-yl)-4-[4-[(4-chlorophenyl)methoxy]-1-[2-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C(CNC(=O)CN(CCN(CCN(COC=O)COC=O)COC=O)COC=O)NCC1C(C(C(C(O1)O)O)O)O

DOS

IR

Vibrations