Geometry & MOs

Info

ID:	89753
PubChem CID:	49964327
Reduced:	ClN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	448.146166
ΔH_f, kcal/mol:	-174.75
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759106
Charge, e:	-1

Chem-info

IUPAC name:

ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(CO)NC(=O)C1=CC(=CN=C1)O.[Cl-]

DOS

IR

Vibrations