Geometry & MOs

Info

ID:

416462

PubChem CID:

135089477

Reduced:

NSO6C16H23 (1)

Stoich.:

ABC6D16E23 (1)

Weight, g/mol:

704.333376

ΔHf, kcal/mol:

-241.36

Dipole, Da:

1.74

IP(EA), eV:

 -9.54(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)S(=O)(=O)C2=CC=CC(=C2)OC)C(=O)O

DOS

IR

Vibrations