Geometry & MOs

Info

ID:

184936

PubChem CID:

77232208

Reduced:

SCl2N4O4C16H22 (1)

Stoich.:

AB2C4D4E16F22 (1)

Weight, g/mol:

594.10447

ΔHf, kcal/mol:

-179.92

Dipole, Da:

1.93

IP(EA), eV:

 -9.32(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-amino-2-hydroxy-4-oxobutyl) 4-(5-bromopyridin-2-yl)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NCC(=O)NC[C@@H](N)S)NC(=O)CC1=CC(=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations