Geometry & MOs

Info

ID:

95767

PubChem CID:

50014039

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-231.32

Dipole, Da:

5.11

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations