Geometry & MOs

Info

ID:	194782
PubChem CID:	78589456
Reduced:	FSO3N5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	407.01168
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	6.82
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3N)C4=CC=C(C=C4)F

DOS

IR

Vibrations