Geometry & MOs

Info

ID:

219326

PubChem CID:

85098762

Reduced:

S2N3O10H37C41 (1)

Stoich.:

A2B3C10D37E41 (1)

Weight, g/mol:

795.4816

ΔHf, kcal/mol:

-242.87

Dipole, Da:

5.11

IP(EA), eV:

 -8.62(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 9-[[5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[(1,1-diethoxy-4-methylpentan-2-yl)amino]-1-oxopentan-2-yl]amino]-9-oxononanoate

Drug info:

PubChemData

Smile

C1CSC2(S1)CC(CC(C2OC(=O)C3=CC=CC=C3)N=[N+]=[N-])OC4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations