Geometry & MOs

Info

ID:

149133

PubChem CID:

53788805

Reduced:

NO3C13H21 (1)

Stoich.:

AB3C13D21 (1)

Weight, g/mol:

898.187303

ΔHf, kcal/mol:

-115.78

Dipole, Da:

1.03

IP(EA), eV:

 -8.37(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6S,7R)-7-[[2-(4-acetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[formamido(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(COC1=CC=CC=C1OC)O)N

DOS

IR

Vibrations