Geometry & MOs

Info

ID:

102970

PubChem CID:

50070278

Reduced:

FSO4N7C31H38 (1)

Stoich.:

ABC4D7E31F38 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-158.09

Dipole, Da:

4.61

IP(EA), eV:

 -8.74(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations