Geometry & MOs

Info

ID:

95691

PubChem CID:

50012381

Reduced:

F3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-313.21

Dipole, Da:

5.16

IP(EA), eV:

 -8.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations