Geometry & MOs

Info

ID:	74741
PubChem CID:	48422386
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	2.64
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C(C)OCC3CC3

DOS

IR

Vibrations