Geometry & MOs

Info

ID:	138924
PubChem CID:	52443817
Reduced:	Cl3N4O4H9C13 (1)
Stoich.:	A3B4C4D9E13 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	6.63
Dipole, Da:	10.01
IP(EA), eV:	-8.92(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[3-[(3-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CNNC2=NC(=C(C=C2Cl)Cl)Cl)C=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations