Geometry & MOs

Info

ID:	134914
PubChem CID:	51782874
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	518.148713
ΔH_f, kcal/mol:	-99.33
Dipole, Da:	9.33
IP(EA), eV:	-9.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[methyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CN([C@@H](C1=CC(=CC=C1)OC)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations