Geometry & MOs

Info

ID:	130662
PubChem CID:	51091929
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	3.16
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-4-methylphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)C)C)OC

DOS

IR

Vibrations