Geometry & MOs

Info

ID:	125917
PubChem CID:	50944028
Reduced:	O2S2F3N6H13C15 (1)
Stoich.:	A2B2C3D6E13F15 (1)
Weight, g/mol:	384.171689
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	5.41
IP(EA), eV:	-9.33(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-butylphenyl)-6-chlorobenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3C(F)(F)F)C4=CC=C(S4)S(=O)(=O)N

DOS

IR

Vibrations