Geometry & MOs

Info

ID:	89394
PubChem CID:	49961408
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	421.091869
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	5.33
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)phenothiazine-10-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations