Geometry & MOs

Info

ID:	122241
PubChem CID:	50799230
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	457.112999
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	5.41
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)COC1=NC2=C(C(=C1)C)C(=NN2C3=CC=CC=C3)C

DOS

IR

Vibrations