Geometry & MOs

Info

ID:	64721
PubChem CID:	29203908
Reduced:	BrFSN3O4C19H21 (1)
Stoich.:	ABCD3E4F19G21 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	3.6
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations