Geometry & MOs

Info

ID:	36663
PubChem CID:	8010500
Reduced:	OSN5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	20.9
Dipole, Da:	5.47
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)SC2=NNC(=N2)N

DOS

IR

Vibrations