Geometry & MOs

Info

ID:

114846

PubChem CID:

50498914

Reduced:

ClFO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-212.98

Dipole, Da:

9.9

IP(EA), eV:

 -8.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)F

DOS

IR

Vibrations