Geometry & MOs

Info

ID:	243356
PubChem CID:	99222709
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	456.165369
ΔH_f, kcal/mol:	-154.34
Dipole, Da:	6.66
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)CCC(=O)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations