Geometry & MOs

Info

ID:	41687
PubChem CID:	8146822
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	422.190223
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	7.21
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN[C@H](C3=CC=C(C=C3)C(C)C)C(C)C)C(=O)OC

DOS

IR

Vibrations