Geometry & MOs

Info

ID:	33844
PubChem CID:	7888405
Reduced:	Cl2N2O4H12C17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	5.05
IP(EA), eV:	-8.93(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-butan-2-yl]carbamoyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations