Geometry & MOs

Info

ID:	60896
PubChem CID:	26702945
Reduced:	ClFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	463.057113
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	3.8
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=C(C=CC(=C1)Cl)F)C2=CC=CC=C2

DOS

IR

Vibrations