Geometry & MOs

Info

ID:

108112

PubChem CID:

50230326

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-192.96

Dipole, Da:

11.34

IP(EA), eV:

 -9.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations