Geometry & MOs

Info

ID:	420898
PubChem CID:	135115010
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	5.35
IP(EA), eV:	-9.45(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)CN2CCOC[C@@H]2C(=O)O)C

DOS

IR

Vibrations