Geometry & MOs

Info

ID:	227120
PubChem CID:	87560268
Reduced:	ClSN4O4C21H23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	7.01
IP(EA), eV:	-9.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenylpyrrolidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=NN(C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=C(N=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations