Geometry & MOs

Info

ID:	31726
PubChem CID:	3288052
Reduced:	ClS2N3O3H22C23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	420.14337
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	6.8
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCS2)C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations