Geometry & MOs

Info

ID:	396725
PubChem CID:	135029094
Reduced:	ClNS2O4H10C17 (1)
Stoich.:	ABC2D4E10F17 (1)
Weight, g/mol:	393.233535
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	2.34
IP(EA), eV:	-9.43(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6R,6aS)-N-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=O)S3)S(=O)(=O)NC4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations