Geometry & MOs

Info

ID:	263114
PubChem CID:	103340700
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	8.04
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-bromo-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

CNCC1=CN=C(C=C1)S(=O)(=O)N(CCOC)CC=C

DOS

IR

Vibrations