Geometry & MOs

Info

ID:	41999
PubChem CID:	8148088
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	3.12
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)methyl-methyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)N(C)CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations