Geometry & MOs

Info

ID:	32436
PubChem CID:	7835960
Reduced:	SN2O6H16C19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	401.068156
ΔH_f, kcal/mol:	-153.7
Dipole, Da:	3.92
IP(EA), eV:	-8.44(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations