Geometry & MOs

Info

ID:	324229
PubChem CID:	126677196
Reduced:	ClSF3O3N6H22C28 (1)
Stoich.:	ABC3D3E6F22G28 (1)
Weight, g/mol:	495.252192
ΔH_f, kcal/mol:	-144.99
Dipole, Da:	3.59
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(hydroxymethyl)-1-trityl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)/C=C/C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations