Geometry & MOs

Info

ID:

437135

PubChem CID:

135215053

Reduced:

SN2H7C12 (2)

Stoich.:

AB2C7D12 (2)

Weight, g/mol:

486.226705

ΔHf, kcal/mol:

167.38

Dipole, Da:

3.19

IP(EA), eV:

 -8.48(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-12-[(4-oxidomorpholin-4-ium-4-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C(=N2)SC4=C(S3)C=CC(=C4)C5=CC=CC(=N5)C6=CC=NC=C6

DOS

IR

Vibrations