Geometry & MOs

Info

ID:	309544
PubChem CID:	126547644
Reduced:	SN2C7O7H8 (1)
Stoich.:	AB2C7D7E8 (1)
Weight, g/mol:	558.239973
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	5.58
IP(EA), eV:	-11.12(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(cyclohexylsulfanylmethyl)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-7-methyl-1,12-dioxo-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C=C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

DOS

IR

Vibrations