Geometry & MOs

Info

ID:

105619

PubChem CID:

50130642

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-239.06

Dipole, Da:

4.93

IP(EA), eV:

 -8.94(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations