Geometry & MOs

Info

ID:

105202

PubChem CID:

50106622

Reduced:

Cl2O4N5C25H29 (1)

Stoich.:

A2B4C5D25E29 (1)

Weight, g/mol:

570.235746

ΔHf, kcal/mol:

-161.88

Dipole, Da:

2.33

IP(EA), eV:

 -9.14(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-chloro-3-(dimethylcarbamoyl)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=C(C=C3)Cl)Cl

DOS

IR

Vibrations