Geometry & MOs

Info

ID:	56182
PubChem CID:	17422380
Reduced:	NSO2Cl3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	6.04
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-fluoroanilino)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations