Geometry & MOs

Info

ID:	157105
PubChem CID:	56422132
Reduced:	S2O3N5H13C18 (1)
Stoich.:	A2B3C5D13E18 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	85.17
Dipole, Da:	5.51
IP(EA), eV:	-8.86(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-dioxodiazinan-1-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-])SC4=NN=CS4

DOS

IR

Vibrations