Geometry & MOs

Info

ID:	188998
PubChem CID:	77801099
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	472.088739
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.22
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(3-chloro-2-fluorophenyl)-4-(2,4-dichlorophenyl)-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C(C(=O)NNCC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)OC

DOS

IR

Vibrations