Geometry & MOs

Info

ID:	379143
PubChem CID:	134354891
Reduced:	ON7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	432.196862
ΔH_f, kcal/mol:	28.74
Dipole, Da:	4.37
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-3-amino-1-[3-[bis(2-methoxyethyl)amino]-1,2,4-oxadiazol-5-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NN(C(=N)C=C2)C(=N)C(C)C)C)CCC(=O)N3CCCC3(C)C

DOS

IR

Vibrations