Geometry & MOs

Info

ID:

99347

PubChem CID:

50050143

Reduced:

FSO4N7C30H36 (1)

Stoich.:

ABC4D7E30F36 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-151.52

Dipole, Da:

7.82

IP(EA), eV:

 -9.11(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations