Geometry & MOs

Info

ID:	167693
PubChem CID:	74859082
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	2.51
IP(EA), eV:	-9.15(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2C(=C(SC2=N1)C(=O)OCC)C)CC(CCC=C)O

DOS

IR

Vibrations