Geometry & MOs

Info

ID:	433822
PubChem CID:	135173965
Reduced:	IN3O3C13H26 (1)
Stoich.:	AB3C3D13E26 (1)
Weight, g/mol:	589.208294
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	4.77
IP(EA), eV:	-8.36(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-amino-[(5Z)-5-butylidene-3-(6,7-difluoro-1H-indazol-4-yl)-2-oxo-1-propan-2-ylimidazolidin-4-ylidene]methyl]-N-(2-fluoro-4-methylsulfonylphenyl)ethanimidamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCOCCCCOCC(=O)NI

DOS

IR

Vibrations