Geometry & MOs

Info

ID:	432093
PubChem CID:	135172225
Reduced:	SO3C6H10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	5.09
IP(EA), eV:	-9.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[bis(2-methylpropyl)amino]-3-isothiocyanatophenyl]butanoate

Drug info:

PubChemData

Smile

C1CC(SC(C1)O)C(=O)O

DOS

IR

Vibrations