Geometry & MOs

Info

ID:	196910
PubChem CID:	78894552
Reduced:	BrSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	7.23
IP(EA), eV:	-9.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-4-fluorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)CCC2=CC=CC=C2Br

DOS

IR

Vibrations