Geometry & MOs

Info

ID:	327672
PubChem CID:	126690695
Reduced:	SN4O5H34C40 (1)
Stoich.:	AB4C5D34E40 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	6.93
IP(EA), eV:	-8.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methylpyridin-3-yl)-1-phenylethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN(CC(=O)O)C(=O)C5=CC=C(C=C5)NC(=O)CC6=CC=C(C=C6)SC

DOS

IR

Vibrations