Geometry & MOs

Info

ID:	62291
PubChem CID:	26718978
Reduced:	BrFSO2N3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	437.02225
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	2.0
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromobenzoyl)-4-ethoxy-5-methoxy-2-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations