Geometry & MOs

Info

ID:	164376
PubChem CID:	74392051
Reduced:	SSiN2O5C26H30 (1)
Stoich.:	ABC2D5E26F30 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-154.18
Dipole, Da:	3.07
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-6-oxo-N-phenyl-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(=O)C(=C3C4C2C(=O)N4C5=CC=C(C=C5)OC)[Si](C)(C)C

DOS

IR

Vibrations