Geometry & MOs

Info

ID:

419022

PubChem CID:

135107358

Reduced:

NSO4C20H23 (1)

Stoich.:

ABC4D20E23 (1)

Weight, g/mol:

733.314535

ΔHf, kcal/mol:

-114.1

Dipole, Da:

4.38

IP(EA), eV:

 -8.69(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-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]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations