Geometry & MOs

Info

ID:	178207
PubChem CID:	76294828
Reduced:	S2O3N5C22H27 (1)
Stoich.:	A2B3C5D22E27 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	4.26
IP(EA), eV:	-8.77(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-6-oxo-1,3-diazinan-2-yl)phenyl]-2-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCCN(CC2)C(=O)C3=CC4=NC(=S)N(C(=O)C4C=C3)CCCOC

DOS

IR

Vibrations