Geometry & MOs

Info

ID:	41601
PubChem CID:	8146468
Reduced:	SO3N4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	420.174573
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805760
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations