Geometry & MOs

Info

ID:	62293
PubChem CID:	26718988
Reduced:	BrO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	474.03612
ΔH_f, kcal/mol:	35.16
Dipole, Da:	3.93
IP(EA), eV:	-9.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromobenzoyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NNC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations