Geometry & MOs

Info

ID:	33587
PubChem CID:	7887090
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	5.15
IP(EA), eV:	-8.68(-0.61)
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-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CSC(=N2)NCC=C

DOS

IR

Vibrations