Geometry & MOs

Info

ID:	63719
PubChem CID:	26759044
Reduced:	NF2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	-246.61
Dipole, Da:	5.6
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations