Geometry & MOs

Info

ID:

96499

PubChem CID:

50021760

Reduced:

FN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-224.03

Dipole, Da:

3.68

IP(EA), eV:

 -8.32(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations