Geometry & MOs

Info

ID:	63906
PubChem CID:	26759455
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	409.133694
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	2.5
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations