Geometry & MOs

Info

ID:	74105
PubChem CID:	48421467
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	9.18
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=NN=CS2

DOS

IR

Vibrations