Geometry & MOs

Info

ID:

186658

PubChem CID:

77464148

Reduced:

SN2O5C20H24 (1)

Stoich.:

AB2C5D20E24 (1)

Weight, g/mol:

752.397142

ΔHf, kcal/mol:

-167.55

Dipole, Da:

7.9

IP(EA), eV:

 -9.22(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2,5-dibenzyl-6-[[1-(2-methylphenyl)-2-oxoazepan-3-yl]amino]-6-oxohexyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC1(C(S(=O)(=O)N=C(O1)NC(CCO)C2=CC=CC=C2)C3=CC(=CC=C3)O)C

DOS

IR

Vibrations