Geometry & MOs

Info

ID:	307174
PubChem CID:	125275616
Reduced:	FS2N3O4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	7.66
IP(EA), eV:	-9.14(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-benzyl-N-ethyl-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[C@H]2C=NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations