Geometry & MOs

Info

ID:

311169

PubChem CID:

126589691

Reduced:

FN4O5H25C26 (1)

Stoich.:

AB4C5D25E26 (1)

Weight, g/mol:

1004.468392

ΔHf, kcal/mol:

-203.96

Dipole, Da:

11.14

IP(EA), eV:

 -9.15(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3,5-bis[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-N-cyclopentylbutanamide

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CN)O

DOS

IR

Vibrations