Geometry & MOs

Info

ID:	139426
PubChem CID:	52530037
Reduced:	ClN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	310.055818
ΔH_f, kcal/mol:	22.32
Dipole, Da:	5.16
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N'-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CO/N=C(/CC2=CC=CC=C2Cl)\N

DOS

IR

Vibrations