Geometry & MOs

Info

ID:

96660

PubChem CID:

50023255

Reduced:

FSO4N7C31H38 (1)

Stoich.:

ABC4D7E31F38 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-163.75

Dipole, Da:

15.15

IP(EA), eV:

 -8.54(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-dimethylanilino)-3-oxopropyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations