Geometry & MOs

Info

ID:	61462
PubChem CID:	26709670
Reduced:	ClN2S2O3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-80.56
Dipole, Da:	6.39
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CSC2=CC=C(C=C2)Cl)S(=O)(=O)N

DOS

IR

Vibrations