Geometry & MOs

Info

ID:	122837
PubChem CID:	50823691
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	5.94
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations