Geometry & MOs

Info

ID:	33973
PubChem CID:	7889091
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	5.16
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-ethyl-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C)C

DOS

IR

Vibrations