Geometry & MOs

Info

ID:

215094

PubChem CID:

85084149

Reduced:

ClNSBr2O6C27H38 (1)

Stoich.:

ABCD2E6F27G38 (1)

Weight, g/mol:

618.12917

ΔHf, kcal/mol:

-246.06

Dipole, Da:

7.81

IP(EA), eV:

 -9.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 1

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

Drug info:

PubChemData

Smile

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)CC3=CC=C(C=C3)Br)O)OC(=O)NC(=O)CCl)OC)C.[Br-]

DOS

IR

Vibrations