Geometry & MOs

Info

ID:

358673

PubChem CID:

127296463

Reduced:

O2N3C22H29 (1)

Stoich.:

A2B3C22D29 (1)

Weight, g/mol:

375.161663

ΔHf, kcal/mol:

-81.29

Dipole, Da:

2.26

IP(EA), eV:

-8.46(0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCCCC2C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations