Geometry & MOs

Info

ID:	40684
PubChem CID:	8144525
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	407.07535
ΔH_f, kcal/mol:	42.07
Dipole, Da:	7.38
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-hydroxyphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)N[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations