Geometry & MOs

Info

ID:	311837
PubChem CID:	126598192
Reduced:	NCl2C6H7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	532.185709
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	2.76
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-3-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C=CC=C(N1)Cl)Cl

DOS

IR

Vibrations