Geometry & MOs

Info

ID:

420122

PubChem CID:

135111295

Reduced:

SN3O4C17H23 (1)

Stoich.:

AB3C4D17E23 (1)

Weight, g/mol:

731.400647

ΔHf, kcal/mol:

-136.3

Dipole, Da:

3.68

IP(EA), eV:

 -8.47(0.01)

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]-3-(2-ethylimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations