Geometry & MOs

Info

ID:

118264

PubChem CID:

50636293

Reduced:

Cl2N5O5C30H37 (1)

Stoich.:

A2B5C5D30E37 (1)

Weight, g/mol:

633.271797

ΔHf, kcal/mol:

-201.31

Dipole, Da:

3.72

IP(EA), eV:

 -9.01(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(4-methoxybenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations