Geometry & MOs

Info

ID:	185863
PubChem CID:	77361361
Reduced:	ClN3O7C31H40 (1)
Stoich.:	AB3C7D31E40 (1)
Weight, g/mol:	382.075406
ΔH_f, kcal/mol:	-266.12
Dipole, Da:	13.06
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(tert-butylsulfinyliminomethyl)-3-methyl-1,2-oxazol-4-yl]-5-chloro-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1CC1)CC2=CC(=C3C(=C2Cl)CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations