Geometry & MOs

Info

ID:	33304
PubChem CID:	7885886
Reduced:	SN4O5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	-72.07
Dipole, Da:	9.49
IP(EA), eV:	-9.18(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)OC)[N+](=O)[O-]

DOS

IR

Vibrations