Geometry & MOs

Info

ID:	370717
PubChem CID:	127339980
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	8.8
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-pyrazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations