Geometry & MOs

Info

ID:	411320
PubChem CID:	135084143
Reduced:	OSH14C15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	233.126323
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	0.93
IP(EA), eV:	-9.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6R)-4-(aminomethyl)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)SC2=CC=CC=C2

DOS

IR

Vibrations