Geometry & MOs

Info

ID:

107606

PubChem CID:

50210853

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

628.300933

ΔHf, kcal/mol:

-201.61

Dipole, Da:

13.31

IP(EA), eV:

 -8.7(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations