Geometry & MOs

Info

ID:	177913
PubChem CID:	76250478
Reduced:	O2S2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	9.21
IP(EA), eV:	-7.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenothiazin-10-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NCC3CCN(C3)C4=CC=CC=C4)C

DOS

IR

Vibrations