Geometry & MOs

Info

ID:

424872

PubChem CID:

135124286

Reduced:

SO5N6C28H32 (1)

Stoich.:

AB5C6D28E32 (1)

Weight, g/mol:

619.294074

ΔHf, kcal/mol:

-53.29

Dipole, Da:

3.8

IP(EA), eV:

 -8.42(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[(1,1-dihydroxy-4-methyl-4,5-dihydro-3H-pyrido[4,3-f]thiazepin-2-yl)methyl]-4-methylphenyl]-3-[(1-ethyltriazol-4-yl)methoxy]-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)N4C(=C(C=N4)C(=O)O)C5CC5C6=CN(N=N6)C)C

DOS

IR

Vibrations