Geometry & MOs

Info

ID:	64029
PubChem CID:	26759713
Reduced:	BrSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	6.82
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations