Geometry & MOs

Info

ID:

111965

PubChem CID:

50389036

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-243.43

Dipole, Da:

3.66

IP(EA), eV:

 -8.81(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations