Geometry & MOs

Info

ID:	376597
PubChem CID:	134222618
Reduced:	P2O3C5H12 (1)
Stoich.:	A2B3C5D12 (1)
Weight, g/mol:	614.262611
ΔH_f, kcal/mol:	-231.93
Dipole, Da:	8.8
IP(EA), eV:	-10.27(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[(Z)-(methylideneamino)-(5-methylimino-1-pyrrolidin-3-ylpyrazol-4-ylidene)methyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CP1(=O)CCCP(=O)(O1)C

DOS

IR

Vibrations