Geometry & MOs

Info

ID:

147681

PubChem CID:

53787338

Reduced:

OC26H44 (1)

Stoich.:

AB26C44 (1)

Weight, g/mol:

773.179849

ΔHf, kcal/mol:

-126.04

Dipole, Da:

2.47

IP(EA), eV:

 -9.23(1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-[4-[acetyl-(2-aminoacetyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]-(2-amino-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(C4)O)C

DOS

IR

Vibrations