Geometry & MOs

Info

ID:

415167

PubChem CID:

135088158

Reduced:

FO4N5C18H20 (1)

Stoich.:

AB4C5D18E20 (1)

Weight, g/mol:

491.228102

ΔHf, kcal/mol:

-93.69

Dipole, Da:

2.98

IP(EA), eV:

 -9.38(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S)-6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCCNC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations