Geometry & MOs

Info

ID:	187811
PubChem CID:	77628139
Reduced:	ClSN2O7C32H39 (1)
Stoich.:	ABC2D7E32F39 (1)
Weight, g/mol:	173.080041
ΔH_f, kcal/mol:	-254.86
Dipole, Da:	6.29
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propoxy-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC)C2C3=C(C=CC(=C3)Cl)N(C(=O)C(O2)CCCC4=NC=C(S4)CC(=O)O)CC(C)(C)CO

DOS

IR

Vibrations