Geometry & MOs

Info

ID:	346619
PubChem CID:	127271123
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	7.02
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[1-(oxolan-2-yl)propan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations