Geometry & MOs

Info

ID:	362250
PubChem CID:	127307263
Reduced:	S2N3O4C17H25 (1)
Stoich.:	A2B3C4D17E25 (1)
Weight, g/mol:	297.216475
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	2.95
IP(EA), eV:	-9.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C=CC1CCN(CC1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations