Geometry & MOs

Info

ID:

95032

PubChem CID:

50005840

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

646.291511

ΔHf, kcal/mol:

-199.09

Dipole, Da:

4.12

IP(EA), eV:

 -8.41(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations