Geometry & MOs

Info

ID:	61024
PubChem CID:	26704494
Reduced:	S2N3O5H21C24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	465.147075
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	6.11
IP(EA), eV:	-8.3(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations