Geometry & MOs

Info

ID:

118380

PubChem CID:

50640248

Reduced:

BrClO5N6C28H34 (1)

Stoich.:

ABC5D6E28F34 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-197.29

Dipole, Da:

6.78

IP(EA), eV:

 -9.18(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-[(4-methoxybenzoyl)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)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations