Geometry & MOs

Info

ID:	186964
PubChem CID:	77508172
Reduced:	SN3O4C29H43 (1)
Stoich.:	AB3C4D29E43 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-176.85
Dipole, Da:	4.27
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-oxo-4aH-thieno[2,3-d]pyrimidin-6-yl)heptyl acetate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C2=CC=C(C=C2)C(=O)NC(CC(C)(C)C)C(=O)N3CC(C4C3C(=O)CO4)SC

DOS

IR

Vibrations