Geometry & MOs

Info

ID:

420019

PubChem CID:

135110802

Reduced:

SO3N6C27H40 (1)

Stoich.:

AB3C6D27E40 (1)

Weight, g/mol:

699.338047

ΔHf, kcal/mol:

-64.04

Dipole, Da:

1.88

IP(EA), eV:

 -8.77(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15R)-9-benzyl-13-(2-methoxyethyl)-15-(2-methylpropyl)-4-(pyrazine-2-carbonyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)CC=C(C)C)N=N3

DOS

IR

Vibrations