Geometry & MOs

Info

ID:

107386

PubChem CID:

50201283

Reduced:

ClFO4N5C37H43 (1)

Stoich.:

ABC4D5E37F43 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-182.68

Dipole, Da:

8.99

IP(EA), eV:

 -9.25(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propylcarbamoyl)phenyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C)Cl

DOS

IR

Vibrations