Geometry & MOs

Info

ID:	243300
PubChem CID:	99218249
Reduced:	NO3F4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	454.091805
ΔH_f, kcal/mol:	-265.11
Dipole, Da:	5.69
IP(EA), eV:	-8.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C(=C2F)F)F)F)OC[C@H]3CCCO3

DOS

IR

Vibrations