Geometry & MOs

Info

ID:

224120

PubChem CID:

85338441

Reduced:

N2O7C39H42 (1)

Stoich.:

A2B7C39D42 (1)

Weight, g/mol:

651.351966

ΔHf, kcal/mol:

-188.54

Dipole, Da:

7.28

IP(EA), eV:

 -8.48(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-[[3-(dipropylcarbamoyl)benzoyl]amino]-2-ethyl-4-hydroxy-6-phenylhexanoyl]amino]cyclohexane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(CC2=CC=CC=C2C)C(=O)CN3CC(C(C3C4=CC=C(C=C4)OCCOC)C(=O)O)C5=C6C(=CC=C5)OCO6

DOS

IR

Vibrations