Geometry & MOs

Info

ID:	299105
PubChem CID:	117671391
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	351.092915
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	1.19
IP(EA), eV:	-8.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(9-oxo-7,8-dihydro-6H-pyrido[1,2-a]indol-10-yl)sulfanyl]benzoate

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C3=C1C(=O)N(CC3)C)SC=C2

DOS

IR

Vibrations