Geometry & MOs

Info

ID:

118056

PubChem CID:

50627231

Reduced:

Cl2N5O5C28H35 (1)

Stoich.:

A2B5C5D28E35 (1)

Weight, g/mol:

681.271797

ΔHf, kcal/mol:

-199.77

Dipole, Da:

7.52

IP(EA), eV:

 -8.68(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[4-[(4-methoxybenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)OC)Cl

DOS

IR

Vibrations