Geometry & MOs

Info

ID:	346130
PubChem CID:	127270618
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	364.148159
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	3.33
IP(EA), eV:	-9.36(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations