Geometry & MOs

Info

ID:

93733

PubChem CID:

49996411

Reduced:

ClN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-273.88

Dipole, Da:

11.39

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations