Geometry & MOs

Info

ID:	86497
PubChem CID:	49886256
Reduced:	FNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	293.053335
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	4.29
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-ethylsulfonyl-2,4-difluoroanilino)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCC(=O)O)F

DOS

IR

Vibrations