Geometry & MOs

Info

ID:

187102

PubChem CID:

77530336

Reduced:

FSCl2O4N6C19H19 (1)

Stoich.:

ABC2D4E6F19G19 (1)

Weight, g/mol:

571.085924

ΔHf, kcal/mol:

-141.95

Dipole, Da:

4.59

IP(EA), eV:

 -8.15(-0.53)

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-fluoropiperidin-1-yl]-4-(4-methoxypyridin-2-yl)-1,3-thiazol-5-yl] ethyl carbonate

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2CCN(CC2F)C3=NC(=C(S3)OC(=O)O)C4=CN(C=N4)C)Cl)Cl

DOS

IR

Vibrations