Geometry & MOs

Info

ID:

327666

PubChem CID:

126690686

Reduced:

F3N3O6H36C40 (1)

Stoich.:

A3B3C6D36E40 (1)

Weight, g/mol:

761.238256

ΔHf, kcal/mol:

-309.45

Dipole, Da:

8.59

IP(EA), eV:

 -8.27(-1.05)

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-[methyl-[4-(4-methylphenyl)phenyl]sulfonylamino]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(CC2)NC(=O)C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations