Geometry & MOs

Info

ID:	192544
PubChem CID:	78284155
Reduced:	FSCl2O2N3H16C20 (1)
Stoich.:	ABC2D2E3F16G20 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	4.69
IP(EA), eV:	-9.2(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-butan-2-ylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

CCNC(=O)CSC1=NC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)N1C3=CC=CC=C3F

DOS

IR

Vibrations