Geometry & MOs

Info

ID:

118498

PubChem CID:

50644519

Reduced:

ClFO5N6C30H38 (1)

Stoich.:

ABC5D6E30F38 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-262.93

Dipole, Da:

8.98

IP(EA), eV:

 -9.01(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(phenylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)CC

DOS

IR

Vibrations