Geometry & MOs

Info

ID:	360809
PubChem CID:	127301454
Reduced:	ClSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	2.72
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonylmethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations