Geometry & MOs

Info

ID:	124921
PubChem CID:	50903330
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	360.060235
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	4.26
IP(EA), eV:	-9.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,9S,10R,11S)-9-(3-nitrophenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@H]2C3=CC=CC=C3O[C@]1(NC(=O)N2)C

DOS

IR

Vibrations