Geometry & MOs

Info

ID:	177681
PubChem CID:	76214014
Reduced:	N2O2F3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	555.176541
ΔH_f, kcal/mol:	-232.76
Dipole, Da:	7.18
IP(EA), eV:	-9.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C(C(C(=O)N2)C3=CC=CC=C3C(F)(F)F)O)NC1

DOS

IR

Vibrations