Geometry & MOs

Info

ID:	179982
PubChem CID:	76562076
Reduced:	ClSO4N5C26H28 (1)
Stoich.:	ABC4D5E26F28 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	6.01
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(4-aminophenyl)-6-oxo-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)NC(=O)NC

DOS

IR

Vibrations