Geometry & MOs

Info

ID:	134248
PubChem CID:	51668881
Reduced:	NO2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	374.11227
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	1.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752353
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-4,6-bis(4-methoxyphenyl)-3,5-dimethyl-1,3,5-thiadiazinane-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)CCC[NH+](CC(C)C)CC(C)C

DOS

IR

Vibrations