Geometry & MOs

Info

ID:	33699
PubChem CID:	7887539
Reduced:	FNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	-180.23
Dipole, Da:	4.27
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)F

DOS

IR

Vibrations