Geometry & MOs

Info

ID:	370739
PubChem CID:	127340091
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	30.99
Dipole, Da:	3.06
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations