Geometry & MOs

Info

ID:	29215
PubChem CID:	832379
Reduced:	S2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	44.84
Dipole, Da:	2.04
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-4-benzamidothiolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)C

DOS

IR

Vibrations