Geometry & MOs

Info

ID:

107539

PubChem CID:

50207807

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-217.77

Dipole, Da:

4.42

IP(EA), eV:

 -8.57(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations