Geometry & MOs

Info

ID:	40380
PubChem CID:	8144019
Reduced:	SO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	8.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808281
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[methyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[NH+](C)CC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C)C(=O)N1

DOS

IR

Vibrations