Geometry & MOs

Info

ID:

328233

PubChem CID:

126700320

Reduced:

SF3N4O5C42H47 (1)

Stoich.:

AB3C4D5E42F47 (1)

Weight, g/mol:

290.178299

ΔHf, kcal/mol:

-241.02

Dipole, Da:

3.45

IP(EA), eV:

 -7.92(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,7S)-5-methyl-1,5-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-8,10,12(21),14,16,18-hexaene

Drug info:

PubChemData

Smile

CC(C)(C)OCCC(C)(C)NC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2)F)CSC3=NC=C(N3C4=CC(=C(C=C4)F)OC)N(C)C5=CC(=C(C=C5)OC)OC)F

DOS

IR

Vibrations