Geometry & MOs

Info

ID:

184442

PubChem CID:

77161364

Reduced:

ClN6C18H25 (1)

Stoich.:

AB6C18D25 (1)

Weight, g/mol:

821.384722

ΔHf, kcal/mol:

58.27

Dipole, Da:

4.69

IP(EA), eV:

 -8.45(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[butyl-[2-[[9-carbamoyl-4,7-bis(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxoethyl]carbamoyl]oxymethyl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=C(N=C(N3)C(CC4=CC=CC=C4)N)Cl)NNC2N

DOS

IR

Vibrations