Geometry & MOs

Info

ID:	270511
PubChem CID:	103636947
Reduced:	ClSO3N4C10H11 (1)
Stoich.:	ABC3D4E10F11 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	3.34
IP(EA), eV:	-10.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxyphenyl)ethylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNS(=O)(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations