Geometry & MOs

Info

ID:

105319

PubChem CID:

50106911

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-211.76

Dipole, Da:

5.66

IP(EA), eV:

 -8.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations