Geometry & MOs

Info

ID:	40385
PubChem CID:	8144024
Reduced:	O2S2N4C19H25 (1)
Stoich.:	A2B2C4D19E25 (1)
Weight, g/mol:	404.134068
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.848940
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[methyl-[[5-(5-methylthiophen-2-yl)-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(=CS2)C3=CC=C(S3)C)C(=O)N1

DOS

IR

Vibrations