Geometry & MOs

Info

ID:

94208

PubChem CID:

49999052

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-245.33

Dipole, Da:

3.98

IP(EA), eV:

 -8.94(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations