Geometry & MOs

Info

ID:	383161
PubChem CID:	134974728
Reduced:	I2N2O2C17H28 (1)
Stoich.:	A2B2C2D17E28 (1)
Weight, g/mol:	320.111602
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	2.75
IP(EA), eV:	-9.39(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CC1CCC(C2(C1)N(C(=O)[C@H]3N2O[C@@H]([C@@H]3CI)CI)C)C(C)C

DOS

IR

Vibrations