Geometry & MOs

Info

ID:	37440
PubChem CID:	8021093
Reduced:	ClNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	397.089242
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	3.12
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)N[C@H](C)C2=CC=CS2

DOS

IR

Vibrations