Geometry & MOs

Info

ID:	242959
PubChem CID:	99214522
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	423.165034
ΔH_f, kcal/mol:	27.14
Dipole, Da:	3.42
IP(EA), eV:	-7.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations