Geometry & MOs

Info

ID:	78073
PubChem CID:	49681634
Reduced:	F2S2N3O4C21H23 (1)
Stoich.:	A2B2C3D4E21F23 (1)
Weight, g/mol:	475.123563
ΔH_f, kcal/mol:	-195.49
Dipole, Da:	3.64
IP(EA), eV:	-9.33(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CCOC

DOS

IR

Vibrations