Geometry & MOs

Info

ID:	144297
PubChem CID:	53346072
Reduced:	SO2F3N6H19C27 (1)
Stoich.:	AB2C3D6E19F27 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-100.87
Dipole, Da:	3.45
IP(EA), eV:	-8.62(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(azetidin-3-yl)-N-methylcarbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CSC4=C3N=CN=C4NC5=CC=NC=C5

DOS

IR

Vibrations