Geometry & MOs

Info

ID:	179656
PubChem CID:	76517888
Reduced:	PF2N5O5C12H18 (1)
Stoich.:	AB2C5D5E12F18 (1)
Weight, g/mol:	506.238099
ΔH_f, kcal/mol:	-337.15
Dipole, Da:	3.99
IP(EA), eV:	-10.08(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[[[3-(3,5-difluorophenyl)-4-(3,4-dimethylphenyl)butan-2-ylidene]amino]oxymethyl]phenyl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC2=CN(N=N2)CCCC(F)(F)P(=O)(O)O

DOS

IR

Vibrations