Geometry & MOs

Info

ID:

168565

PubChem CID:

74989512

Reduced:

PN8O14C30H41 (1)

Stoich.:

AB8C14D30E41 (1)

Weight, g/mol:

548.012172

ΔHf, kcal/mol:

-622.35

Dipole, Da:

7.05

IP(EA), eV:

 -8.7(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(2-amino-6-oxo-1,3-diazinan-4-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1N(CCN(C)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)CC3CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)(O)O)O)N

DOS

IR

Vibrations