Geometry & MOs

Info

ID:	244706
PubChem CID:	99376487
Reduced:	BrSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	488.20597
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	5.05
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CSCCC2=CC=CC=C2

DOS

IR

Vibrations