Geometry & MOs

Info

ID:	60875
PubChem CID:	26702783
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	4.38
IP(EA), eV:	-8.24(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C

DOS

IR

Vibrations