Geometry & MOs

Info

ID:	372393
PubChem CID:	131296931
Reduced:	NS2O3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	320.98619
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	7.55
IP(EA), eV:	-8.74(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-iodo-7-methoxy-3,4-dihydro-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NS1)C(=O)OC)O

DOS

IR

Vibrations