Geometry & MOs

Info

ID:	425330
PubChem CID:	135125947
Reduced:	F2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	388.103477
ΔH_f, kcal/mol:	-250.73
Dipole, Da:	6.24
IP(EA), eV:	-10.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5S,6R)-5-(difluoromethyl)-5-(2-fluoro-5-formylphenyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=CC(=C(C(=C2)F)F)C(=O)O)C

DOS

IR

Vibrations