Geometry & MOs

Info

ID:	41688
PubChem CID:	8146829
Reduced:	SO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	1.95
Dipole, Da:	9.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867096
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-2-[[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations