Geometry & MOs

Info

ID:	63973
PubChem CID:	26759594
Reduced:	BrSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	2.66
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)C

DOS

IR

Vibrations