Geometry & MOs

Info

ID:	155850
PubChem CID:	56367848
Reduced:	Cl2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	6.24
IP(EA), eV:	-9.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenothiazin-10-ylpropanoylamino)-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations