Geometry & MOs

Info

ID:	63838
PubChem CID:	26759286
Reduced:	SN2O6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	386.064504
ΔH_f, kcal/mol:	-207.91
Dipole, Da:	3.6
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCCOC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations