Geometry & MOs

Info

ID:	244165
PubChem CID:	99319146
Reduced:	SF2N3O3C20H23 (1)
Stoich.:	AB2C3D3E20F23 (1)
Weight, g/mol:	410.155432
ΔH_f, kcal/mol:	-205.25
Dipole, Da:	5.6
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations