Geometry & MOs

Info

ID:	192657
PubChem CID:	78297189
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	482.198777
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	9.13
IP(EA), eV:	-9.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-(1,2,4-oxadiazol-5-yl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CC(N(C2C3=NC=CS3)C(=O)C4=CC=C(C=C4)C(C)(C)C)(CC(C)C)C(=O)O

DOS

IR

Vibrations