Geometry & MOs

Info

ID:

223017

PubChem CID:

85333962

Reduced:

FO7N15C42H74 (1)

Stoich.:

AB7C15D42E74 (1)

Weight, g/mol:

919.09262

ΔHf, kcal/mol:

-388.27

Dipole, Da:

4.38

IP(EA), eV:

 -9.16(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[(3-benzamido-4-chlorophenyl)methylsulfanyl]-3-[(7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-4,5-dihydroxyoxan-2-yl]methyl 2-iodobenzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(C)N

DOS

IR

Vibrations