Geometry & MOs

Info

ID:	77975
PubChem CID:	49681319
Reduced:	O3S3N7C17H19 (1)
Stoich.:	A3B3C7D17E19 (1)
Weight, g/mol:	418.093346
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	4.95
IP(EA), eV:	-8.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CSC2=NN=C(S2)NC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations