Geometry & MOs

Info

ID:	133071
PubChem CID:	51473103
Reduced:	SN4O5C27H31 (1)
Stoich.:	AB4C5D27E31 (1)
Weight, g/mol:	369.103966
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	13.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845817
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[(2-chlorophenyl)sulfonylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)[C@@H]2N(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations