Geometry & MOs

Info

ID:	278343
PubChem CID:	103834957
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-121.13
Dipole, Da:	8.13
IP(EA), eV:	-10.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate

Drug info:

PubChemData

Smile

CC(CCOC)(CNS(=O)(=O)C1=CC=CC(=C1)C#N)O

DOS

IR

Vibrations