Geometry & MOs

Info

ID:

187917

PubChem CID:

77643064

Reduced:

FN3O4C29H36 (1)

Stoich.:

AB3C4D29E36 (1)

Weight, g/mol:

709.193326

ΔHf, kcal/mol:

-207.05

Dipole, Da:

7.4

IP(EA), eV:

 -8.85(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-tert-butylcyclohexyl)-2-[[2-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]carbamoylamino]-4-(4-methoxyphenyl)benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)NC2=C(C=CC(=C2)F)C(=O)NC(C)(C3CCCCC3)C(=O)OC)C)CC=C

DOS

IR

Vibrations