Geometry & MOs

Info

ID:

448110

PubChem CID:

135288547

Reduced:

SN7O9C47H77 (1)

Stoich.:

AB7C9D47E77 (1)

Weight, g/mol:

915.550348

ΔHf, kcal/mol:

-398.22

Dipole, Da:

6.88

IP(EA), eV:

 -9.19(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[1-[[3-aminooxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-3,5-dimethylhexoxy]ethyl N-methylcarbamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)ON)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)C(C)CCOCCN(C)C(=O)O

DOS

IR

Vibrations