Geometry & MOs

Info

ID:	147513
PubChem CID:	53787169
Reduced:	N3O8C39H49 (1)
Stoich.:	A3B8C39D49 (1)
Weight, g/mol:	322.006658
ΔH_f, kcal/mol:	-318.66
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-10-oxophenoxathiin-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CCC(=O)N(CC2=CC=C(C=C2)OCC(=O)N3CCOCC3)[C@@H]4[C@@H](CC5=CC=CC=C45)O)O

DOS

IR

Vibrations