Geometry & MOs

Info

ID:	122242
PubChem CID:	50799283
Reduced:	S2N3O4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	509.048205
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	4.19
IP(EA), eV:	-8.88(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-ethoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations