Geometry & MOs

Info

ID:	139916
PubChem CID:	52617375
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	443.141596
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	9.8
IP(EA), eV:	-9.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-4-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC2=CC=C(O2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations