Geometry & MOs

Info

ID:

315519

PubChem CID:

126627303

Reduced:

ClN3O4H16C19 (1)

Stoich.:

AB3C4D16E19 (1)

Weight, g/mol:

557.268985

ΔHf, kcal/mol:

-80.62

Dipole, Da:

5.97

IP(EA), eV:

 -8.98(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(17-fluoro-4,28-dimethyl-21,27-dioxa-1,6,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,7,9(34),10,12,14(33),15(20),16,18-decaen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C=O)C(=C1CC(=O)O)C3=C(C4=C(C=C3)OCCN4)Cl

DOS

IR

Vibrations