Geometry & MOs

Info

ID:	187985
PubChem CID:	77650639
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	400.178041
ΔH_f, kcal/mol:	-168.45
Dipole, Da:	1.68
IP(EA), eV:	-8.51(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-3-(cyclopropylmethylsulfonyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCCC2=CC=C(C=C2)OC)O

DOS

IR

Vibrations