Geometry & MOs

Info

ID:	54298
PubChem CID:	16961168
Reduced:	ClSN4O5C21H27 (1)
Stoich.:	ABC4D5E21F27 (1)
Weight, g/mol:	491.088413
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	1.21
IP(EA), eV:	-8.97(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations