Geometry & MOs

Info

ID:	174878
PubChem CID:	75826007
Reduced:	SO3N6H21C24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	354.069457
ΔH_f, kcal/mol:	33.67
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.170306
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)ethanimidate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=NC2=NN3C=C(N=C3S2)C4=CC=CC=C4)[O-])CCC5=CC=CC=C5

DOS

IR

Vibrations