Geometry & MOs

Info

ID:

416964

PubChem CID:

135090927

Reduced:

SN2O4C17H24 (1)

Stoich.:

AB2C4D17E24 (1)

Weight, g/mol:

769.391145

ΔHf, kcal/mol:

-164.32

Dipole, Da:

1.94

IP(EA), eV:

 -9.58(-0.87)

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]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations