Geometry & MOs

Info

ID:	344402
PubChem CID:	127267578
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	5.77
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CSCC2C(=O)NCC3CC3

DOS

IR

Vibrations