Geometry & MOs

Info

ID:	241088
PubChem CID:	93621768
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	296.074325
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	7.39
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCCOC)OC)NC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations