Geometry & MOs

Info

ID:	174651
PubChem CID:	75801388
Reduced:	ClO3N5C17H26 (1)
Stoich.:	AB3C5D17E26 (1)
Weight, g/mol:	460.103729
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	2.6
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamoyl-7-chloro-4-(dimethylazaniumyl)-10,11,12a-trihydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracen-1-olate

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NC(=O)CC2=C(NC3N2C(=O)N(C(=O)N3C)C)Cl

DOS

IR

Vibrations