Geometry & MOs

Info

ID:

98195

PubChem CID:

50040715

Reduced:

ClF2O5N6C38H45 (1)

Stoich.:

AB2C5D6E38F45 (1)

Weight, g/mol:

671.187766

ΔHf, kcal/mol:

-289.1

Dipole, Da:

5.95

IP(EA), eV:

 -9.22(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations