Geometry & MOs

Info

ID:

110430

PubChem CID:

50324194

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-225.83

Dipole, Da:

5.94

IP(EA), eV:

 -8.57(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations