Geometry & MOs

Info

ID:	64284
PubChem CID:	29198869
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	5.82
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylurea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4)C

DOS

IR

Vibrations