Geometry & MOs

Info

ID:

96074

PubChem CID:

50018737

Reduced:

FSO3N6C29H35 (1)

Stoich.:

ABC3D6E29F35 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-115.06

Dipole, Da:

5.65

IP(EA), eV:

 -9.07(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations