Geometry & MOs

Info

ID:

103121

PubChem CID:

50070437

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

689.239195

ΔHf, kcal/mol:

-341.69

Dipole, Da:

7.38

IP(EA), eV:

 -8.68(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations