Geometry & MOs

Info

ID:

416249

PubChem CID:

135089261

Reduced:

N3O5C17H23 (1)

Stoich.:

A3B5C17D23 (1)

Weight, g/mol:

673.270083

ΔHf, kcal/mol:

-153.49

Dipole, Da:

7.57

IP(EA), eV:

 -9.03(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-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]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations