Geometry & MOs

Info

ID:	448642
PubChem CID:	135292423
Reduced:	ON2C29H52 (1)
Stoich.:	AB2C29D52 (1)
Weight, g/mol:	470.17155
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	1.78
IP(EA), eV:	-8.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methoxy thiohypoiodite

Drug info:

PubChemData

Smile

CC1=C(C(=C2CCN(C2=N1)C)CCC(C)CCCC(C)CCC[C@H](C)CCCC(C)C)O

DOS

IR

Vibrations