Geometry & MOs

Info

ID:	134910
PubChem CID:	51781217
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	472.127978
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	4.01
IP(EA), eV:	-9.63(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-methoxyacetyl)-methylamino]-N-[(4-methylphenyl)sulfonylmethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C/C=C/[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations