Geometry & MOs

Info

ID:	155358
PubChem CID:	56352953
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	445.097538
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	6.26
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[4-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C2=NN(C(C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations