Geometry & MOs

Info

ID:	352303
PubChem CID:	127283387
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	3.18
IP(EA), eV:	-9.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCNC(=O)C3C(C)C

DOS

IR

Vibrations