Geometry & MOs

Info

ID:	336860
PubChem CID:	127255867
Reduced:	ClOSN2H13C17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	505.14639
ΔH_f, kcal/mol:	3.7
Dipole, Da:	6.23
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-bromophenyl)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid;[(2S)-pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CSC(=N3)C4=CC=CC=C4)NC1=O.Cl

DOS

IR

Vibrations