Geometry & MOs

Info

ID:

449857

PubChem CID:

135302140

Reduced:

N2O2C11H18 (1)

Stoich.:

A2B2C11D18 (1)

Weight, g/mol:

493.174788

ΔHf, kcal/mol:

-60.91

Dipole, Da:

1.14

IP(EA), eV:

 -9.28(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-[(3R)-3-methylpyrrolidine-1-carbonyl]-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(C=N1)OCCOC

DOS

IR

Vibrations