Geometry & MOs

Info

ID:	41908
PubChem CID:	8147799
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	380.143273
ΔH_f, kcal/mol:	3.7
Dipole, Da:	4.12
IP(EA), eV:	-8.56(-1.1)
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-[(1R)-2-methyl-1-phenylpropyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations