Geometry & MOs

Info

ID:

436051

PubChem CID:

135193572

Reduced:

SN2O3C22H44 (1)

Stoich.:

AB2C3D22E44 (1)

Weight, g/mol:

767.331899

ΔHf, kcal/mol:

-214.83

Dipole, Da:

2.68

IP(EA), eV:

 -8.56(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-[4-(propan-2-ylamino)phenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Drug info:

PubChemData

Smile

CC(C)(C)CCCCCC(=O)NCCOCCNC(=O)CCSCC(C)(C)C

DOS

IR

Vibrations