Geometry & MOs

Info

ID:	194611
PubChem CID:	78561562
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	374.1278
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	2.92
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations