Geometry & MOs

Info

ID:	231587
PubChem CID:	87574224
Reduced:	SF2O2N6C25H26 (1)
Stoich.:	AB2C2D6E25F26 (1)
Weight, g/mol:	540.20605
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	6.11
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(benzhydrylideneamino)-3-(5-fluoro-2-nitro-3-phenoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CNC(=O)NOCC1=C(C=CN=C1)N2C(SC(=N2)C3=C(C=CC(=C3)F)F)(CCCN)C4=CC=CC=C4

DOS

IR

Vibrations