Geometry & MOs

Info

ID:	77976
PubChem CID:	49681321
Reduced:	FO2S2N4C19H19 (1)
Stoich.:	AB2C2D4E19F19 (1)
Weight, g/mol:	352.102768
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	1.45
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations