Geometry & MOs

Info

ID:	358301
PubChem CID:	127295846
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	395.253255
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	3.75
IP(EA), eV:	-8.78(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)N2CCCSCC2

DOS

IR

Vibrations