Geometry & MOs

Info

ID:	446050
PubChem CID:	135272042
Reduced:	PSO3C8H19 (1)
Stoich.:	ABC3D8E19 (1)
Weight, g/mol:	441.19738
ΔH_f, kcal/mol:	-244.76
Dipole, Da:	1.44
IP(EA), eV:	-9.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3,4-dimethyl-7-phenylmethoxy-1-benzothiophen-5-yl)-N-(ethoxymethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(OC(C)(C)C)SC

DOS

IR

Vibrations