Geometry & MOs

Info

ID:	132541
PubChem CID:	51376141
Reduced:	SN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	373.212732
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082151
Charge, e:	-1

Chem-info

IUPAC name:

2-[[(2S)-1-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]propan-2-yl]iminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)NC[C@@H]5CCCO5

DOS

IR

Vibrations