Geometry & MOs

Info

ID:	32750
PubChem CID:	7847919
Reduced:	ClNO5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-199.06
Dipole, Da:	2.24
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)OC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

DOS

IR

Vibrations