Geometry & MOs

Info

ID:	243582
PubChem CID:	99226949
Reduced:	SN3O7H21C22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	4.02
IP(EA), eV:	-8.91(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonyl-5-nitrophenyl)-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CN=C(C=C2)OCCOC3=CC=CC=C3

DOS

IR

Vibrations