Geometry & MOs

Info

ID:	235794
PubChem CID:	92710653
Reduced:	S2N3O5C22H29 (1)
Stoich.:	A2B3C5D22E29 (1)
Weight, g/mol:	455.191249
ΔH_f, kcal/mol:	-171.97
Dipole, Da:	6.41
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-5-(diethylsulfamoyl)-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N([C@@H](C2)C(=O)NCCSCC3=CC=CO3)C(=O)C

DOS

IR

Vibrations