Geometry & MOs

Info

ID:	180230
PubChem CID:	76602302
Reduced:	N2S3O6C24H28 (1)
Stoich.:	A2B3C6D24E28 (1)
Weight, g/mol:	488.107579
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	4.66
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCSC1=CN=C(S1)NC(=O)C2=CC(=CC(=C2)OC(C)COC)OCC3=CC=CS3

DOS

IR

Vibrations