Geometry & MOs

Info

ID:

176725

PubChem CID:

76088859

Reduced:

S2O17N22C70H114 (1)

Stoich.:

A2B17C22D70E114 (1)

Weight, g/mol:

328.247441

ΔHf, kcal/mol:

-689.57

Dipole, Da:

8.73

IP(EA), eV:

 -8.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-[(1-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C=O)C(=O)CCCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CO)N

DOS

IR

Vibrations