Geometry & MOs

Info

ID:

59848

PubChem CID:

24899749

Reduced:

ClO2N4H15C16 (1)

Stoich.:

AB2C4D15E16 (1)

Weight, g/mol:

508.258674

ΔHf, kcal/mol:

12.03

Dipole, Da:

4.56

IP(EA), eV:

 -8.92(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(15Z)-13-oxa-5,7,18,27-tetrazapentacyclo[16.5.2.12,6.18,12.021,25]heptacosa-1(24),2(27),3,5,8(26),9,11,15,19,21(25),22-undecaen-11-yl]-3-piperidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)C3=NN4C=C(C=NC4=C3)Cl)OC(=C2)C

DOS

IR

Vibrations