Geometry & MOs

Info

ID:	192932
PubChem CID:	78326203
Reduced:	FSO2N3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	7.58
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2,6-dioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CCSC1NC2C(C(C3C(=O)CC(C=C3N2)(C)C)C4=CC(=CC=C4)F)C(=O)N1

DOS

IR

Vibrations