Geometry & MOs

Info

ID:

190976

PubChem CID:

78089109

Reduced:

N11O29C71H101 (1)

Stoich.:

A11B29C71D101 (1)

Weight, g/mol:

500.122688

ΔHf, kcal/mol:

-1158.8

Dipole, Da:

23.03

IP(EA), eV:

 -8.31(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-chloro-2-pyrimidin-2-ylphenyl)-[2-methyl-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NCCNC(C)C(=O)NCC5C(=O)NC(C(=O)CC(C(=O)NC(C(=O)NC(C(=O)NCC(C(=O)NC(C(=O)N5)C(=O)O)O)C(C)O)C(C(C(=O)N)O)O)C(C)C)CO)C

DOS

IR

Vibrations