Geometry & MOs

Info

ID:	309115
PubChem CID:	126537724
Reduced:	NSO2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	352.083937
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	7.08
IP(EA), eV:	-9.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]carbamoyl chloride

Drug info:

PubChemData

Smile

C/C=C\1/CNS(=O)(=O)C/C1=C/C

DOS

IR

Vibrations