Geometry & MOs

Info

ID:

185596

PubChem CID:

77319130

Reduced:

O5N6C28H48 (1)

Stoich.:

A5B6C28D48 (1)

Weight, g/mol:

695.483314

ΔHf, kcal/mol:

-218.12

Dipole, Da:

5.78

IP(EA), eV:

 -9.64(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[5-hydroxy-2,7-dimethyl-8-[[4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-8-oxooctan-4-yl]amino]-1-oxo-3-(oxolan-2-yl)propan-2-yl]amino]-1-oxopent-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCC(CCN1C=NC2C1=NC(=NC2=O)N)COC(=O)C(C(C)CC)N

DOS

IR

Vibrations