Geometry & MOs

Info

ID:	159539
PubChem CID:	57288432
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	181.040879
ΔH_f, kcal/mol:	-23.75
Dipole, Da:	1.26
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethylsulfonyl)ethyl formate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CC2=C(C1=O)C=C(C=N2)OCC3=NC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations