Geometry & MOs

Info

ID:	235309
PubChem CID:	92309350
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	1.31
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-3-[5-[(3S)-3-methylpiperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CN1C2=C(C=N1)C(=CC=C2)Cl

DOS

IR

Vibrations