Geometry & MOs

Info

ID:	222373
PubChem CID:	85297288
Reduced:	Cl2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	413.114438
ΔH_f, kcal/mol:	-137.73
Dipole, Da:	6.97
IP(EA), eV:	-9.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-(2-nitrophenyl)sulfanyloxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

Drug info:

PubChemData

Smile

CC1C(=O)C(CC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)Cl)O)C)(C)Cl

DOS

IR

Vibrations