Geometry & MOs

Info

ID:	73928
PubChem CID:	48421158
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	4.82
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=NC=CS2

DOS

IR

Vibrations