Geometry & MOs

Info

ID:

109796

PubChem CID:

50297752

Reduced:

F2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-248.95

Dipole, Da:

6.41

IP(EA), eV:

 -8.93(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations