Geometry & MOs

Info

ID:

435428

PubChem CID:

135191448

Reduced:

FO3N4C26H33 (1)

Stoich.:

AB3C4D26E33 (1)

Weight, g/mol:

500.279884

ΔHf, kcal/mol:

-170.36

Dipole, Da:

0.87

IP(EA), eV:

 -8.23(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[5-[(Z)-[(4Z,5E)-4-(2-fluoroethylidene)-2-oxo-5-propylidenepyrrolidin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1NCC2CCCN(C2)C(=O)OC(C)(C)C)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O

DOS

IR

Vibrations