Geometry & MOs

Info

ID:	40630
PubChem CID:	8144448
Reduced:	SO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	5.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844980
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+](C)CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1

DOS

IR

Vibrations