Geometry & MOs

Info

ID:

104517

PubChem CID:

50104472

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

596.251396

ΔHf, kcal/mol:

-216.25

Dipole, Da:

7.94

IP(EA), eV:

 -8.33(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations