Geometry & MOs

Info

ID:

180238

PubChem CID:

76602988

Reduced:

ClNO6C27H28 (1)

Stoich.:

ABC6D27E28 (1)

Weight, g/mol:

580.208863

ΔHf, kcal/mol:

-185.48

Dipole, Da:

1.37

IP(EA), eV:

 -8.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[2-[8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-5-methyltriazol-4-yl]methoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CCC1C2=CC=CN2C3=C(C=C(C=C3)Cl)C(O1)C4=C(C(=CC=C4)OC)OC

DOS

IR

Vibrations