Geometry & MOs

Info

ID:

106590

PubChem CID:

50170060

Reduced:

ClN4O4C29H37 (1)

Stoich.:

AB4C4D29E37 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-158.71

Dipole, Da:

9.38

IP(EA), eV:

 -8.82(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(4-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations