Geometry & MOs

Info

ID:	227562
PubChem CID:	87561994
Reduced:	BSO4N5C22H30 (1)
Stoich.:	ABC4D5E22F30 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	4.8
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-(9-sulfanylidenexanthen-2-yl)oxyacetamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=NOC(=N4)C(C)(C)C

DOS

IR

Vibrations