Geometry & MOs

Info

ID:	196515
PubChem CID:	78839790
Reduced:	BrFN2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	429.137179
ΔH_f, kcal/mol:	-173.19
Dipole, Da:	6.84
IP(EA), eV:	-9.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations