Geometry & MOs

Info

ID:	375778
PubChem CID:	134221768
Reduced:	SN2O7C29H30 (1)
Stoich.:	AB2C7D29E30 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	1.93
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]pyridin-3-yl]ethyl acetate

Drug info:

PubChemData

Smile

CC(C1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@]3(C(NC(=O)S3)O)C(=O)OCC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations