Geometry & MOs

Info

ID:

108692

PubChem CID:

50254774

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-225.08

Dipole, Da:

2.12

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations