Geometry & MOs

Info

ID:

187093

PubChem CID:

77529988

Reduced:

FSCl2O4N7C18H18 (1)

Stoich.:

ABC2D4E7F18G18 (1)

Weight, g/mol:

522.12523

ΔHf, kcal/mol:

-116.06

Dipole, Da:

6.08

IP(EA), eV:

 -8.42(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-[(4-chloro-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-fluoropiperidin-1-yl]-4-pyrazin-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(N=N4)C)Cl)Cl

DOS

IR

Vibrations