Geometry & MOs

Info

ID:

107605

PubChem CID:

50210736

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

628.300933

ΔHf, kcal/mol:

-230.4

Dipole, Da:

9.32

IP(EA), eV:

 -8.9(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations