Geometry & MOs

Info

ID:	373909
PubChem CID:	131321226
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	2.32
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-amino-8-hydroxy-3,4-dihydro-2H-chromene-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1C2=C(CCN1)C=CS2

DOS

IR

Vibrations