Geometry & MOs

Info

ID:	213519
PubChem CID:	81063978
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	378.06128
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	3.15
IP(EA), eV:	-9.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-ethoxyethyl)-4-(ethylaminomethyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)CC(=O)O)F

DOS

IR

Vibrations