Geometry & MOs

Info

ID:	296890
PubChem CID:	117599227
Reduced:	SN7O10C43H55 (1)
Stoich.:	AB7C10D43E55 (1)
Weight, g/mol:	326.068491
ΔH_f, kcal/mol:	-327.73
Dipole, Da:	7.67
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydron;2-[N-methyl-4-(1,2-oxazol-5-yldiazenyl)anilino]ethyl sulfate

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)C3CC4CN3C(=O)CNC(=O)OC5CCCC5CC/C=C\CC6=C(C7=CC=CC=C7N=C6O4)OCCCN8CCNC8=O

DOS

IR

Vibrations