Geometry & MOs

Info

ID:

105207

PubChem CID:

50106647

Reduced:

F2O4N5C25H29 (1)

Stoich.:

A2B4C5D25E29 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-228.07

Dipole, Da:

7.3

IP(EA), eV:

 -9.25(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[3-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations