Geometry & MOs

Info

ID:

96770

PubChem CID:

50024409

Reduced:

FSO3N6C27H31 (1)

Stoich.:

ABC3D6E27F31 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-101.18

Dipole, Da:

4.83

IP(EA), eV:

 -9.11(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations