Geometry & MOs

Info

ID:

327655

PubChem CID:

126690654

Reduced:

N2O7C38H42 (1)

Stoich.:

A2B7C38D42 (1)

Weight, g/mol:

684.219569

ΔHf, kcal/mol:

-238.06

Dipole, Da:

4.04

IP(EA), eV:

 -8.95(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2-dihydroxyethyl)-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-N-[[4-[5-[2-(4-methylphenyl)ethynyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CN(CC(=O)O)C(C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations