Geometry & MOs

Info

ID:	60849
PubChem CID:	26702620
Reduced:	OSN2F3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	406.116486
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	5.0
IP(EA), eV:	-9.52(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 3-methoxy-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC(=O)C2=CC=C(C=C2)SC(F)(F)F

DOS

IR

Vibrations