Geometry & MOs

Info

ID:	195533
PubChem CID:	78696462
Reduced:	SN3O4C20H32 (1)
Stoich.:	AB3C4D20E32 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	-143.36
Dipole, Da:	9.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754703
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCN(C1CCS(=O)(=O)C1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations