Geometry & MOs

Info

ID:

102847

PubChem CID:

50070125

Reduced:

FSO4N7C32H40 (1)

Stoich.:

ABC4D7E32F40 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-162.06

Dipole, Da:

10.34

IP(EA), eV:

 -8.82(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C(C)C)F

DOS

IR

Vibrations