Geometry & MOs

Info

ID:	167692
PubChem CID:	74859081
Reduced:	SN4O5C21H32 (1)
Stoich.:	AB4C5D21E32 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-174.75
Dipole, Da:	3.42
IP(EA), eV:	-8.79(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[ethyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC(=NC2=O)CN(CC(CN3CCOCC3)O)C(C)C)S1)C

DOS

IR

Vibrations