Geometry & MOs

Info

ID:	127675
PubChem CID:	51010751
Reduced:	N2S2O5C25H32 (1)
Stoich.:	A2B2C5D25E32 (1)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	8.23
IP(EA), eV:	-9.42(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,4R,5'R)-1'-(methoxymethoxymethyl)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxolane-4,4'-bicyclo[3.2.1]octane]

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1[C@H]([C@H](C2)NC(=O)C3=CC=C(S3)S(=O)(=O)N4C=CC=C4)C/C=C/CCCC(=O)O)C

DOS

IR

Vibrations