Geometry & MOs

Info

ID:

98026

PubChem CID:

50038302

Reduced:

F3O4N5C38H38 (1)

Stoich.:

A3B4C5D38E38 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-237.96

Dipole, Da:

1.39

IP(EA), eV:

 -9.05(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-methoxy-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations