Geometry & MOs

Info

ID:

107197

PubChem CID:

50195111

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-236.95

Dipole, Da:

7.98

IP(EA), eV:

 -8.57(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl)C

DOS

IR

Vibrations