Geometry & MOs

Info

ID:	172784
PubChem CID:	75552112
Reduced:	ClSO3N5C24H26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	9.74
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NNC3N2C=CN(C3=O)C4=CC=C(C=C4)OCC

DOS

IR

Vibrations