Geometry & MOs

Info

ID:

335997

PubChem CID:

127255004

Reduced:

ClN2H17C20 (1)

Stoich.:

AB2C17D20 (1)

Weight, g/mol:

572.161722

ΔHf, kcal/mol:

52.57

Dipole, Da:

3.11

IP(EA), eV:

 -8.66(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(11S,12R,16S)-11-(2,5-dimethoxybenzoyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraen-14-yl]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3C4=CC=CC=C42.Cl

DOS

IR

Vibrations