Geometry & MOs

Info

ID:	235312
PubChem CID:	92309394
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	8.99
IP(EA), eV:	-8.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations