Geometry & MOs

Info

ID:

111478

PubChem CID:

50370031

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-243.66

Dipole, Da:

7.9

IP(EA), eV:

 -8.86(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C

DOS

IR

Vibrations