Geometry & MOs

Info

ID:	401687
PubChem CID:	135052139
Reduced:	N3O7C16H17 (1)
Stoich.:	A3B7C16D17 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-204.86
Dipole, Da:	6.79
IP(EA), eV:	-10.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzoyl-3-cyclohexyltriazol-4-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H](OC[C@@]1(COC(=O)C2=CC=CC=C2)OC(=O)C)N=[N+]=[N-]

DOS

IR

Vibrations