Geometry & MOs

Info

ID:	184937
PubChem CID:	77233122
Reduced:	BrClFN4O4C26H29 (1)
Stoich.:	ABCD4E4F26G29 (1)
Weight, g/mol:	498.203383
ΔH_f, kcal/mol:	-172.11
Dipole, Da:	6.38
IP(EA), eV:	-9.87(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-hydroxy-4-oxobutyl) 3-(3-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-pyridin-3-ylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC1C(C(C(N1)C(=O)OCC(CC(=O)N)O)C2=C(C(=CC=C2)Cl)F)(C#N)C3=NC=C(C=C3)Br

DOS

IR

Vibrations