Geometry & MOs

Info

ID:

419671

PubChem CID:

135108686

Reduced:

ON4C19H22 (1)

Stoich.:

AB4C19D22 (1)

Weight, g/mol:

684.273004

ΔHf, kcal/mol:

56.0

Dipole, Da:

3.07

IP(EA), eV:

 -9.01(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-22-methoxy-13-(5-methylthiophene-2-carbonyl)-5-(4-pyrazol-1-ylbenzoyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CN(CCCO)CC3=CN=CC=C3

DOS

IR

Vibrations