Geometry & MOs

Info

ID:	222787
PubChem CID:	85332466
Reduced:	ClSO3N4C27H31 (1)
Stoich.:	ABC3D4E27F31 (1)
Weight, g/mol:	526.18054
ΔH_f, kcal/mol:	-67.52
Dipole, Da:	5.35
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylbenzoyl)-5-(2-chloro-1,3-thiazol-5-yl)-2-(2-methylpropyl)-4-pyrazin-2-ylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CC(C(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)Cl)C3=NC=CS3)C4=NC=CN=C4)C(=O)O

DOS

IR

Vibrations