Geometry & MOs

Info

ID:	40862
PubChem CID:	8144861
Reduced:	N3O6C16H23 (1)
Stoich.:	A3B6C16D23 (1)
Weight, g/mol:	329.107222
ΔH_f, kcal/mol:	-229.88
Dipole, Da:	8.11
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl]-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)N/N=C\[C@@H]([C@H]([C@@H]([C@@H](C)O)O)O)O

DOS

IR

Vibrations