Geometry & MOs

Info

ID:	63887
PubChem CID:	26759417
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	379.123129
ΔH_f, kcal/mol:	-213.99
Dipole, Da:	5.19
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations