Geometry & MOs

Info

ID:	376112
PubChem CID:	134222115
Reduced:	SN2O7C30H32 (1)
Stoich.:	AB2C7D30E32 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-246.49
Dipole, Da:	6.03
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethylpyridin-2-yl)butanoate

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)[C@@H](CC(=O)OC)COC2=CC=C(C=C2)CC3(C(NC(=O)S3)O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations