Geometry & MOs

Info

ID:	351112
PubChem CID:	127279670
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	3.17
IP(EA), eV:	-8.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC5=C(S4)CCOC5

DOS

IR

Vibrations