Geometry & MOs

Info

ID:	188035
PubChem CID:	77658671
Reduced:	ClN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	386.068491
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	7.13
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=C(C=C2)OCC(O3)CC4(CCCCC4)N.O.Cl

DOS

IR

Vibrations