Geometry & MOs

Info

ID:	235314
PubChem CID:	92309396
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	3.05
IP(EA), eV:	-8.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCC[C@@H](C3)C

DOS

IR

Vibrations