Geometry & MOs

Info

ID:	122244
PubChem CID:	50799285
Reduced:	S2N3O7C23H23 (1)
Stoich.:	A2B3C7D23E23 (1)
Weight, g/mol:	495.032555
ΔH_f, kcal/mol:	-231.71
Dipole, Da:	7.76
IP(EA), eV:	-9.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=CC=C3C(=O)OCC

DOS

IR

Vibrations