Geometry & MOs

Info

ID:	68965
PubChem CID:	46513935
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	3.77
IP(EA), eV:	-8.66(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC4=C(N=C3)N(N=C4C)C

DOS

IR

Vibrations