Geometry & MOs

Info

ID:

104147

PubChem CID:

50092212

Reduced:

FO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-157.27

Dipole, Da:

7.12

IP(EA), eV:

 -8.78(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamidoanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations