Geometry & MOs

Info

ID:	318962
PubChem CID:	126653948
Reduced:	SCl2N4O4C36H36 (1)
Stoich.:	AB2C4D4E36F36 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	8.21
IP(EA), eV:	-8.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(5-methylpyrazin-2-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=NC3CC3)C4=C(C=CC(=C4)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)N)C(=O)N

DOS

IR

Vibrations