Geometry & MOs

Info

ID:	33835
PubChem CID:	7888366
Reduced:	ClN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-144.56
Dipole, Da:	8.33
IP(EA), eV:	-9.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(propylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations