Geometry & MOs

Info

ID:	353371
PubChem CID:	127284747
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	5.48
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-5,7-dihydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations