Geometry & MOs

Info

ID:	63999
PubChem CID:	26759653
Reduced:	ClSN4O4C21H27 (1)
Stoich.:	ABC4D4E21F27 (1)
Weight, g/mol:	415.07982
ΔH_f, kcal/mol:	-156.82
Dipole, Da:	6.99
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[C@@H](C2=CC=C(C=C2)Cl)NC(=O)N)C

DOS

IR

Vibrations