Geometry & MOs

Info

ID:	404035
PubChem CID:	135064648
Reduced:	SO4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	391.07831
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	4.82
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (3R)-3-(4-bromophenyl)-3-(2-hydroxyanilino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(CO)C2=CC=C(C=C2)OC

DOS

IR

Vibrations