Geometry & MOs

Info

ID:

168830

PubChem CID:

75024502

Reduced:

FNSO2H20C22 (1)

Stoich.:

ABCD2E20F22 (1)

Weight, g/mol:

668.284614

ΔHf, kcal/mol:

-68.41

Dipole, Da:

5.21

IP(EA), eV:

 -9.32(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C2=CC=CC=C2)C(C3=CC=C(S3)C4=CC(=CC=C4)F)O

DOS

IR

Vibrations