Geometry & MOs

Info

ID:	192180
PubChem CID:	78236469
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	3.7
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)SCC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations