Geometry & MOs

Info

ID:

96046

PubChem CID:

50018641

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-207.85

Dipole, Da:

13.21

IP(EA), eV:

 -8.57(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-difluoroanilino)-2-oxoethyl]-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)NCC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations