Geometry & MOs

Info

ID:	427541
PubChem CID:	135159711
Reduced:	O2S2F3N5H18C19 (1)
Stoich.:	A2B2C3D5E18F19 (1)
Weight, g/mol:	370.175339
ΔH_f, kcal/mol:	-113.37
Dipole, Da:	5.99
IP(EA), eV:	-8.6(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(1-methylimidazol-2-yl)-2-(1,3-oxazol-4-ylmethyl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-9-carboxylate

Drug info:

PubChemData

Smile

CNSN[C@H]1CC2=C([C@@H](N=C(N2C1)C3=NC=CS3)C4=C(C(=C(C=C4)F)F)F)C(=O)OC

DOS

IR

Vibrations