Geometry & MOs

Info

ID:	231825
PubChem CID:	87574730
Reduced:	S2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	439.178358
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	3.72
IP(EA), eV:	-9.13(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,2R)-1-naphthalen-2-yl-3-oxo-2-phenylmethoxypropyl]carbamate

Drug info:

PubChemData

Smile

COS(=O)(=O)C1=CC=CC2=C1C=CS2

DOS

IR

Vibrations