Geometry & MOs

Info

ID:	134525
PubChem CID:	51710828
Reduced:	N4O5H24C27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	11.96
IP(EA), eV:	-8.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=O)[C@@]23[C@@H]([C@@H]([C@@H]4N3CCC4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CN=CC=C6

DOS

IR

Vibrations