Geometry & MOs

Info

ID:	41689
PubChem CID:	8146830
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	390.218152
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	5.38
IP(EA), eV:	-8.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations