Geometry & MOs

Info

ID:

420817

PubChem CID:

135114878

Reduced:

SO3N4H12C14 (1)

Stoich.:

AB3C4D12E14 (1)

Weight, g/mol:

704.353363

ΔHf, kcal/mol:

5.3

Dipole, Da:

4.8

IP(EA), eV:

 -9.18(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(O1)C(=O)NCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations