Geometry & MOs

Info

ID:	222790
PubChem CID:	85332469
Reduced:	PF2N3O9H20C21 (1)
Stoich.:	AB2C3D9E20F21 (1)
Weight, g/mol:	527.263151
ΔH_f, kcal/mol:	-423.28
Dipole, Da:	7.89
IP(EA), eV:	-9.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(aminomethyl)-4-(dimethylamino)-7-hexyl-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=C2F)N3CC(OC3=O)COC4=NOC=C4)F)C(=O)C5COP(=O)(O5)O

DOS

IR

Vibrations