Geometry & MOs

Info

ID:	167707
PubChem CID:	74860471
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	407.034269
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	2.74
IP(EA), eV:	-9.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)OC1=CC=CC(=C1)C=CC(=O)O

DOS

IR

Vibrations