Geometry & MOs

Info

ID:

421548

PubChem CID:

135116191

Reduced:

NSO4C20H21 (1)

Stoich.:

ABC4D20E21 (1)

Weight, g/mol:

594.267605

ΔHf, kcal/mol:

-109.2

Dipole, Da:

4.55

IP(EA), eV:

 -8.85(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C5=C1SC=C5

DOS

IR

Vibrations