Geometry & MOs

Info

ID:	32437
PubChem CID:	7835961
Reduced:	SN3O6H15C18 (1)
Stoich.:	AB3C6D15E18 (1)
Weight, g/mol:	399.088892
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	7.87
IP(EA), eV:	-9.37(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-acetamidoanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations