Geometry & MOs

Info

ID:	133606
PubChem CID:	51561671
Reduced:	SO4N6C15H18 (1)
Stoich.:	AB4C6D15E18 (1)
Weight, g/mol:	261.152892
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	11.13
IP(EA), eV:	-9.3(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=NN2C[C@@H]3CCCO3

DOS

IR

Vibrations