Geometry & MOs

Info

ID:

215093

PubChem CID:

85084148

Reduced:

SN7O8C33H45 (1)

Stoich.:

AB7C8D33E45 (1)

Weight, g/mol:

699.04546

ΔHf, kcal/mol:

-264.77

Dipole, Da:

9.33

IP(EA), eV:

 -8.46(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-bromophenyl)methyl-[[4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methylsulfanium;bromide

Drug info:

PubChemData

Smile

CN(CC(=O)NC(CC1CCCCC1)C(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations