Geometry & MOs

Info

ID:	61374
PubChem CID:	26708706
Reduced:	SN2O3H9C10 (2)
Stoich.:	AB2C3D9E10 (2)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-94.52
Dipole, Da:	11.26
IP(EA), eV:	-9.54(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations