Geometry & MOs

Info

ID:

420255

PubChem CID:

135112101

Reduced:

NSO2C8H11 (2)

Stoich.:

ABC2D8E11 (2)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-137.51

Dipole, Da:

6.94

IP(EA), eV:

 -9.43(-1.1)

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]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=CSC(=C3)C(=O)NC)OCC1

DOS

IR

Vibrations