Geometry & MOs

Info

ID:	373058
PubChem CID:	131309257
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-103.57
Dipole, Da:	3.35
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1O)C(=CS2)CC(=O)O

DOS

IR

Vibrations