Geometry & MOs

Info

ID:	121386
PubChem CID:	50765944
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	1.28
IP(EA), eV:	-8.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CC3CSCN3C24C5=CC=CC=C5N(C4=O)CC

DOS

IR

Vibrations