Geometry & MOs

Info

ID:

305073

PubChem CID:

124766493

Reduced:

SN3O4C23H27 (1)

Stoich.:

AB3C4D23E27 (1)

Weight, g/mol:

452.173607

ΔHf, kcal/mol:

-52.28

Dipole, Da:

2.06

IP(EA), eV:

 -8.8(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3R,7S,8S,9R,10S,14R)-5,12-bis(2-methylphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

Drug info:

PubChemData

Smile

C1CN(CCN1CCN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]3C2=O)C=C4)S(=O)(=O)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations