Geometry & MOs

Info

ID:	430004
PubChem CID:	135170061
Reduced:	SO2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	3.05
IP(EA), eV:	-8.48(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(benzylamino)-2-hydroxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC(C)(C)O)OC(C)(C)SC

DOS

IR

Vibrations