Geometry & MOs

Info

ID:

96506

PubChem CID:

50021792

Reduced:

ClF4O4N5C34H36 (1)

Stoich.:

AB4C4D5E34F36 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-336.72

Dipole, Da:

7.98

IP(EA), eV:

 -8.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-ethylanilino)-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations