Geometry & MOs

Info

ID:	236802
PubChem CID:	92714745
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	5.77
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)NC(=O)C[S@](=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations