Geometry & MOs

Info

ID:	317582
PubChem CID:	126643989
Reduced:	BrNH20C27 (1)
Stoich.:	ABC20D27 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	96.28
Dipole, Da:	2.36
IP(EA), eV:	-8.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-1-hydroxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6Br)C

DOS

IR

Vibrations