Geometry & MOs

Info

ID:	68231
PubChem CID:	46508011
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	477.147075
ΔH_f, kcal/mol:	67.3
Dipole, Da:	5.4
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations