Geometry & MOs

Info

ID:	124837
PubChem CID:	50898235
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	367.064507
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	5.18
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(5-tert-butyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C(C)(C)NC(=O)NC2=CC=CC(=C2)C3=CSC(=N3)C

DOS

IR

Vibrations