Geometry & MOs

Info

ID:

47509

PubChem CID:

10533630

Reduced:

FN8O9C44H59 (1)

Stoich.:

AB8C9D44E59 (1)

Weight, g/mol:

863.219589

ΔHf, kcal/mol:

-389.21

Dipole, Da:

2.62

IP(EA), eV:

 -9.02(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (6R,7R)-3-[(E)-2-(3-cyano-1,2-oxazol-5-yl)ethenyl]-7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)N(C)C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=NCC2=CC(=C(C=C2)F)OC3=CC=CC=C3)N)N

DOS

IR

Vibrations