Geometry & MOs

Info

ID:	139435
PubChem CID:	52530873
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	397.091471
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	1.29
IP(EA), eV:	-8.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations