Geometry & MOs

Info

ID:

106467

PubChem CID:

50164417

Reduced:

BrO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-205.6

Dipole, Da:

6.31

IP(EA), eV:

 -8.89(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations