Geometry & MOs

Info

ID:

95167

PubChem CID:

50006738

Reduced:

N6O6C41H54 (1)

Stoich.:

A6B6C41D54 (1)

Weight, g/mol:

730.360946

ΔHf, kcal/mol:

-246.93

Dipole, Da:

8.81

IP(EA), eV:

 -8.52(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations