Geometry & MOs

Info

ID:

170962

PubChem CID:

75307042

Reduced:

SN4O9C40H46 (1)

Stoich.:

AB4C9D40E46 (1)

Weight, g/mol:

657.305015

ΔHf, kcal/mol:

-288.91

Dipole, Da:

1.24

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(18-tert-butyl-17,20-dioxo-12,21,25-trioxa-16,19-diazapentacyclo[24.3.1.113,16.02,11.04,9]hentriaconta-1(30),2,4,6,8,10,26,28-octaene-15-carbonyl)amino]-2-ethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC6=CC=CC=C6C=C5C7=CC(=CC=C7)OCCCOC(=O)N1

DOS

IR

Vibrations