Geometry & MOs

Info

ID:	42141
PubChem CID:	8149232
Reduced:	SO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816859
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[(2S)-2-methylbutyl]-2-(morpholin-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)C[NH+]3CCOCC3)C

DOS

IR

Vibrations