Geometry & MOs

Info

ID:	42140
PubChem CID:	8149231
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	336.174573
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	1.7
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-methyl-5-[(2S)-2-methylbutyl]-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCOCC3)C

DOS

IR

Vibrations