Geometry & MOs

Info

ID:	222786
PubChem CID:	85332465
Reduced:	OSN2C33H54 (1)
Stoich.:	ABC2D33E54 (1)
Weight, g/mol:	526.18054
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	5.15
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-3-chlorobenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)SCC2(CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)O

DOS

IR

Vibrations