Geometry & MOs

Info

ID:	437355
PubChem CID:	135226164
Reduced:	ClF3O5N7H31C40 (1)
Stoich.:	AB3C5D7E31F40 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-172.66
Dipole, Da:	6.0
IP(EA), eV:	-8.73(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-carbamoyl-1H-indazol-6-yl)-2-methylpropan-2-yl] 2-bromoacetate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3(CC3)NC(=O)C4=NC=CC=N4)CC(=O)N5CC(=C(F)F)C[C@H]5C(=O)NC6=CC=CC(=C6F)C7=C(C8=C(C=C7)C(=O)NC8)Cl

DOS

IR

Vibrations