Geometry & MOs

Info

ID:	343987
PubChem CID:	127267163
Reduced:	BrSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	325.120861
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	5.91
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N'-(1-methylbenzotriazol-5-yl)sulfonylbutanehydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(N(N=C2)C)Br)C

DOS

IR

Vibrations