Geometry & MOs

Info

ID:	33671
PubChem CID:	7887406
Reduced:	OS2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	419.108582
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	1.79
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)SC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations