Geometry & MOs

Info

ID:

375861

PubChem CID:

134221855

Reduced:

NF4O5H27C30 (1)

Stoich.:

AB4C5D27E30 (1)

Weight, g/mol:

609.071293

ΔHf, kcal/mol:

-374.22

Dipole, Da:

8.12

IP(EA), eV:

 -8.91(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[N'-[[2-cyano-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]iminomethyl]carbamimidoyl]-N-(cyclopropanecarbonyl)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=C(C=C3)OC)C(F)(F)F)C(=C1CC(=O)O)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations