Geometry & MOs

Info

ID:	156940
PubChem CID:	56394924
Reduced:	ClSO2N7H18C22 (1)
Stoich.:	ABC2D7E18F22 (1)
Weight, g/mol:	470.173625
ΔH_f, kcal/mol:	108.73
Dipole, Da:	12.72
IP(EA), eV:	-8.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC(=C(C=C3)OC)N4C(=NN=N4)C)C5=CC=CC=C5Cl

DOS

IR

Vibrations