Geometry & MOs

Info

ID:

114882

PubChem CID:

50500796

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-213.83

Dipole, Da:

7.22

IP(EA), eV:

 -8.35(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-[(4-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations