Geometry & MOs

Info

ID:	41929
PubChem CID:	8147847
Reduced:	FOSN3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	404.144416
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	1.74
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)F)NCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations