Geometry & MOs

Info

ID:	232676
PubChem CID:	87576697
Reduced:	BrNOC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	237.067094
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	3.4
IP(EA), eV:	-9.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-ethylsulfinyl-1-methoxy-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)Br)CO)C

DOS

IR

Vibrations