Geometry & MOs

Info

ID:	184721
PubChem CID:	77197866
Reduced:	ClNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	531.194518
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.34
IP(EA), eV:	-8.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

Drug info:

PubChemData

Smile

CCSCC(C1CCNC1)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations