Geometry & MOs

Info

ID:	358478
PubChem CID:	127296074
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	365.24269
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	2.25
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations