Geometry & MOs

Info

ID:	40466
PubChem CID:	8144182
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	422.190223
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	2.89
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN[C@@H](C3=CC=CC=C3)C4=CC=CO4)C

DOS

IR

Vibrations