Geometry & MOs

Info

ID:

105262

PubChem CID:

50106778

Reduced:

ClO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-201.4

Dipole, Da:

9.12

IP(EA), eV:

 -8.93(-0.48)

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-(piperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations