Geometry & MOs

Info

ID:	137575
PubChem CID:	52229395
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	352.169939
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	3.3
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)NC3=CC(=NN3C)C)C4=CC=CS4

DOS

IR

Vibrations