Geometry & MOs

Info

ID:	243953
PubChem CID:	99302992
Reduced:	ClSN2O4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	439.0186
ΔH_f, kcal/mol:	-150.45
Dipole, Da:	8.36
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-bromophenyl)-2-[4-(2-chlorophenoxy)butanoylamino]acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(CC2)NC(=O)CCCOC3=CC=CC=C3Cl

DOS

IR

Vibrations