Geometry & MOs

Info

ID:	160941
PubChem CID:	57390318
Reduced:	FN2S2O7C20H21 (1)
Stoich.:	AB2C2D7E20F21 (1)
Weight, g/mol:	448.102768
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	10.13
IP(EA), eV:	-9.47(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[3-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]thiourea

Drug info:

PubChemData

Smile

COC1(CCOCC1)C2=CC(=CC(=C2)F)OCCS3=NS(=O)(=O)C4=C3C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations