Geometry & MOs

Info

ID:	36787
PubChem CID:	8012707
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-162.9
Dipole, Da:	8.32
IP(EA), eV:	-8.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations