Geometry & MOs

Info

ID:	217184
PubChem CID:	85087389
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	340.071366
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	4.14
IP(EA), eV:	-9.07(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-4-(5-chloro-2-hydroxyphenyl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(S3)C(=O)NO

DOS

IR

Vibrations