Geometry & MOs

Info

ID:

117947

PubChem CID:

50621461

Reduced:

Cl2O5N6H34C36 (1)

Stoich.:

A2B5C6D34E36 (1)

Weight, g/mol:

742.268189

ΔHf, kcal/mol:

-135.29

Dipole, Da:

10.58

IP(EA), eV:

 -8.78(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations