Geometry & MOs

Info

ID:

111840

PubChem CID:

50383486

Reduced:

N3O3C16H21 (2)

Stoich.:

A3B3C16D21 (2)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-231.85

Dipole, Da:

4.9

IP(EA), eV:

 -9.16(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC)C(=O)N4CCOCC4

DOS

IR

Vibrations