Geometry & MOs

Info

ID:	353372
PubChem CID:	127284748
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-145.22
Dipole, Da:	3.25
IP(EA), eV:	-8.72(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N(CC3CCCO3)C4CCSC4

DOS

IR

Vibrations