Geometry & MOs

Info

ID:

117525

PubChem CID:

50605996

Reduced:

ClF2O4N5C29H36 (1)

Stoich.:

AB2C4D5E29F36 (1)

Weight, g/mol:

582.181602

ΔHf, kcal/mol:

-254.44

Dipole, Da:

0.76

IP(EA), eV:

 -8.93(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)F)Cl

DOS

IR

Vibrations