Geometry & MOs

Info

ID:	329404
PubChem CID:	126736314
Reduced:	SF3N4O5C19H23 (1)
Stoich.:	AB3C4D5E19F23 (1)
Weight, g/mol:	428.123303
ΔH_f, kcal/mol:	-329.91
Dipole, Da:	6.54
IP(EA), eV:	-9.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-cyano-2-(2-oxo-1,4-dihydro-3,1-benzoxazin-7-yl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations