Geometry & MOs

Info

ID:	68749
PubChem CID:	46509027
Reduced:	BrSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	1.46
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations