Geometry & MOs

Info

ID:

110583

PubChem CID:

50331147

Reduced:

FN6O6C32H35 (1)

Stoich.:

AB6C6D32E35 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-238.14

Dipole, Da:

0.73

IP(EA), eV:

 -8.33(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations