Geometry & MOs

Info

ID:

420967

PubChem CID:

135115136

Reduced:

N2O3C19H32 (1)

Stoich.:

A2B3C19D32 (1)

Weight, g/mol:

707.31981

ΔHf, kcal/mol:

-180.21

Dipole, Da:

2.61

IP(EA), eV:

 -9.27(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-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]imidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCC(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations