Geometry & MOs

Info

ID:

107180

PubChem CID:

50193933

Reduced:

O4N5C32H41 (1)

Stoich.:

A4B5C32D41 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-154.77

Dipole, Da:

6.24

IP(EA), eV:

 -8.95(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5

DOS

IR

Vibrations