Geometry & MOs

Info

ID:

118421

PubChem CID:

50642681

Reduced:

Cl2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-180.28

Dipole, Da:

3.85

IP(EA), eV:

 -8.84(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations