Geometry & MOs

Info

ID:	419735
PubChem CID:	135108918
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	2.95
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-[[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations