Geometry & MOs

Info

ID:	44469
PubChem CID:	10503680
Reduced:	SN5O6C19H23 (1)
Stoich.:	AB5C6D19E23 (1)
Weight, g/mol:	449.115775
ΔH_f, kcal/mol:	-236.9
Dipole, Da:	12.66
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCSC2=C(NC(=NC2=O)N)N

DOS

IR

Vibrations