Geometry & MOs

Info

ID:	74104
PubChem CID:	48421466
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	6.28
IP(EA), eV:	-8.72(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=C(C=CC=N2)C

DOS

IR

Vibrations