Geometry & MOs

Info

ID:	177002
PubChem CID:	76124080
Reduced:	S2N5O7H17C18 (1)
Stoich.:	A2B5C7D17E18 (1)
Weight, g/mol:	230.034586
ΔH_f, kcal/mol:	-139.55
Dipole, Da:	10.01
IP(EA), eV:	-9.12(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromene-3-carbonyl chloride

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=C4CCOC4=O)C(=O)O

DOS

IR

Vibrations