Geometry & MOs

Info

ID:	43443
PubChem CID:	10321305
Reduced:	NSO3C27H27 (1)
Stoich.:	ABC3D27E27 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	1.95
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenothiazine-10-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCC5=CC=CC=C5C4

DOS

IR

Vibrations