Geometry & MOs

Info

ID:

119862

PubChem CID:

50705459

Reduced:

ClO5N6C37H53 (1)

Stoich.:

AB5C6D37E53 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-245.47

Dipole, Da:

6.29

IP(EA), eV:

 -8.8(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)N(CC)CC)C

DOS

IR

Vibrations