Geometry & MOs

Info

ID:

12271

PubChem CID:

133927

Reduced:

S2N8O9C27H28 (1)

Stoich.:

A2B8C9D27E28 (1)

Weight, g/mol:

672.142067

ΔHf, kcal/mol:

-271.51

Dipole, Da:

4.26

IP(EA), eV:

 -9.3(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[[6-oxo-2-(4-sulfamoylanilino)-1H-pyrimidin-5-yl]carbamoylamino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)NC4=CN=C(NC4=O)NC5=CC=C(C=C5)S(=O)(=O)N)C(=O)O)C

DOS

IR

Vibrations