Geometry & MOs

Info

ID:

223895

PubChem CID:

85335715

Reduced:

F3N5O6C32H44 (1)

Stoich.:

A3B5C6D32E44 (1)

Weight, g/mol:

656.393771

ΔHf, kcal/mol:

-396.7

Dipole, Da:

4.49

IP(EA), eV:

 -8.78(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(cyclohexylamino)-3-[[3-(dipropylcarbamoyl)benzoyl]amino]-4-phenylbutan-2-yl] 2-amino-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations