Geometry & MOs

Info

ID:

307879

PubChem CID:

125310384

Reduced:

N3O8C35H43 (1)

Stoich.:

A3B8C35D43 (1)

Weight, g/mol:

469.163771

ΔHf, kcal/mol:

-118.1

Dipole, Da:

6.99

IP(EA), eV:

 -8.45(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(1S,2R,8R)-6-(furan-2-ylmethyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraen-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCOC1=CC=CC=C1OC)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations