Geometry & MOs

Info

ID:	192491
PubChem CID:	78275152
Reduced:	SN3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	391.13322
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.062100
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)furan-2-yl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

CC[N+]1=C2C=CC(=CC2=NC(=O)C1=O)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations