Geometry & MOs

Info

ID:	392524
PubChem CID:	135017031
Reduced:	O7C10H16 (1)
Stoich.:	A7B10C16 (1)
Weight, g/mol:	257.064113
ΔH_f, kcal/mol:	-312.4
Dipole, Da:	6.36
IP(EA), eV:	-10.48(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-N-(2-chloro-1-phenylethylidene)-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](C(=O)OC2C(O1)[C@@H](CO)O)O)C

DOS

IR

Vibrations