Geometry & MOs

Info

ID:	56562
PubChem CID:	17436321
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	5.33
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=NC(=NO2)C3=CSC=C3)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations