Geometry & MOs

Info

ID:	224001
PubChem CID:	85336773
Reduced:	S2N5O6C16H17 (1)
Stoich.:	A2B5C6D16E17 (1)
Weight, g/mol:	442.15222
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	6.52
IP(EA), eV:	-9.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,4-dioxo-1,3-diazinan-1-yl)-N-hydroxy-3-[(4-methoxyphenyl)sulfonylamino]heptanamide

Drug info:

PubChemData

Smile

C=CC1=C(N2CC(C2SC1)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)C(=O)O

DOS

IR

Vibrations