Geometry & MOs

Info

ID:

187094

PubChem CID:

77529989

Reduced:

ClFSO4N6C22H24 (1)

Stoich.:

ABCD4E6F22G24 (1)

Weight, g/mol:

529.05896

ΔHf, kcal/mol:

-138.47

Dipole, Da:

6.73

IP(EA), eV:

 -8.65(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-(1,2-oxazol-5-yl)-1,3-thiazol-5-yl] methyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C(N=C(S1)N2CCC(C(C2)F)NC(=O)C3=C(C(=C(N3)C)Cl)C)C4=NC=CN=C4

DOS

IR

Vibrations