Geometry & MOs

Info

ID:	33383
PubChem CID:	7886194
Reduced:	S2O3N4H18C19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	401.119798
ΔH_f, kcal/mol:	12.55
Dipole, Da:	12.21
IP(EA), eV:	-9.37(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations