Geometry & MOs

Info

ID:	46478
PubChem CID:	10524627
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	393.139865
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	2.64
IP(EA), eV:	-8.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-(benzenesulfinyl)ethyl]-N-benzylcarbamate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC2=NC(=NC(=N2)C)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations