Geometry & MOs

Info

ID:

112812

PubChem CID:

50421181

Reduced:

SO4N5C31H43 (1)

Stoich.:

AB4C5D31E43 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-163.99

Dipole, Da:

6.12

IP(EA), eV:

 -8.37(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)SC)C

DOS

IR

Vibrations