Geometry & MOs

Info

ID:	235313
PubChem CID:	92309395
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	7.94
IP(EA), eV:	-8.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-[(3S)-3-methylpiperidin-1-yl]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate

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