Geometry & MOs

Info

ID:	185548
PubChem CID:	77312230
Reduced:	O4N8C29H36 (1)
Stoich.:	A4B8C29D36 (1)
Weight, g/mol:	478.059246
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	5.29
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]-N-propan-2-ylsulfonyl-1,2-benzothiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C(=O)C1C(C(CO1)O)O)N2C=NC3=C(N=C(N=C32)NCCCN)NCC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations