Geometry & MOs

Info

ID:	62913
PubChem CID:	26737596
Reduced:	NOSBr2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	417.01466
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	3.22
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCCC2=CC=C(S2)Br)Br

DOS

IR

Vibrations