Geometry & MOs

Info

ID:	36861
PubChem CID:	8013855
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	5.45
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations