Geometry & MOs

Info

ID:	33315
PubChem CID:	7885930
Reduced:	SN4O4H18C19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	409.091869
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	3.12
IP(EA), eV:	-8.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations