Geometry & MOs

Info

ID:	40508
PubChem CID:	8144251
Reduced:	SO2N3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	413.119798
ΔH_f, kcal/mol:	56.45
Dipole, Da:	7.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.891501
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)C[NH2+][C@H](C4=CC=CC=C4)C5=CC=CO5

DOS

IR

Vibrations