Geometry & MOs

Info

ID:	155362
PubChem CID:	56352962
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	1.18
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-N,4-dimethyl-3-[4-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCC(CC3)N4C=NC=N4

DOS

IR

Vibrations