Geometry & MOs

Info

ID:

105328

PubChem CID:

50106939

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-211.19

Dipole, Da:

7.48

IP(EA), eV:

 -8.78(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations