Geometry & MOs

Info

ID:

307968

PubChem CID:

125310992

Reduced:

SN4O9C26H34 (1)

Stoich.:

AB4C9D26E34 (1)

Weight, g/mol:

570.203383

ΔHf, kcal/mol:

-350.4

Dipole, Da:

8.39

IP(EA), eV:

 -8.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(9R,10R,15S)-10-(3-chlorophenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]-N-(3-propan-2-yloxypropyl)benzamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COC3=CC=CC=C3C

DOS

IR

Vibrations