Geometry & MOs

Info

ID:	23085
PubChem CID:	601727
Reduced:	BrSN2O2C17H23 (1)
Stoich.:	ABC2D2E17F23 (1)
Weight, g/mol:	398.06636
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	5.14
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8a-methyl-1,2,3,3a,5,6,7,8-octahydroazulen-4-ylidene)amino]-4-bromobenzenesulfonamide

Drug info:

PubChemData

Smile

CC12CCCCC(=NNS(=O)(=O)C3=CC=C(C=C3)Br)C1CCC2

DOS

IR

Vibrations