Geometry & MOs

Info

ID:

189928

PubChem CID:

77924604

Reduced:

N4O7C30H34 (1)

Stoich.:

A4B7C30D34 (1)

Weight, g/mol:

552.190794

ΔHf, kcal/mol:

-177.28

Dipole, Da:

4.92

IP(EA), eV:

 -8.59(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(dimethylamino)-2-[[4-(fluoromethyl)phenyl]methylidene]-7,9,15,17,18-pentahydroxy-11,13-dioxotricyclo[8.8.0.03,8]octadeca-3(8),4,6,9,14-pentaene-14-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1C(CC2CC=C(C=C(C(=CC(=C2C(=O)CC(=O)C(=C1O)C(=O)N)O)O)C3=CC=C(C=C3)C#N)N(C)C)O

DOS

IR

Vibrations