Geometry & MOs

Info

ID:	237684
PubChem CID:	92720713
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-143.78
Dipole, Da:	8.59
IP(EA), eV:	-10.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-methoxyphenyl)methyl]-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC(=N2)C(=O)O)C(=O)N1C)C(=O)NC3CCCCCC3

DOS

IR

Vibrations