Geometry & MOs

Info

ID:	407330
PubChem CID:	135079834
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	411.139882
ΔH_f, kcal/mol:	3.73
Dipole, Da:	1.83
IP(EA), eV:	-8.71(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimorpholin-4-yl-N-(morpholin-4-ylmethylidene)-1,3-thiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNCC2(CCCCC2)CC=C

DOS

IR

Vibrations