Geometry & MOs

Info

ID:	236300
PubChem CID:	92712290
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	2.4
IP(EA), eV:	-8.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5-methyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one

Drug info:

PubChemData

Smile

C1CCN2[C@@H](C1)C(=O)NC3=C2C=CC(=C3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations