Geometry & MOs

Info

ID:	236855
PubChem CID:	92715045
Reduced:	SN4O6C25H30 (1)
Stoich.:	AB4C6D25E30 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-171.81
Dipole, Da:	8.89
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC=NO4)C)C)C

DOS

IR

Vibrations