Geometry & MOs

Info

ID:	352420
PubChem CID:	127283508
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	6.26
IP(EA), eV:	-9.2(-0.37)
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]-3,3-dimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)N3CCNC(=O)C3(C)C

DOS

IR

Vibrations