Geometry & MOs

Info

ID:

45149

PubChem CID:

10508465

Reduced:

ClNO10C33H46 (1)

Stoich.:

ABC10D33E46 (1)

Weight, g/mol:

652.203879

ΔHf, kcal/mol:

-484.78

Dipole, Da:

5.54

IP(EA), eV:

 -9.48(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[methyl-[(Z)-N'-tritylsulfanylcarbamimidoyl]amino]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)[C@H](C(=O)N2[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC2=O)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)Cl

DOS

IR

Vibrations