Geometry & MOs

Info

ID:	300058
PubChem CID:	118111075
Reduced:	FSCl2N2O4C27H31 (1)
Stoich.:	ABC2D2E4F27G31 (1)
Weight, g/mol:	509.178456
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	4.7
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[(S)-phenyl(pyridin-4-yl)methyl]azetidin-3-yl]methoxy]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C5CC5)F

DOS

IR

Vibrations