Geometry & MOs

Info

ID:

168156

PubChem CID:

74930502

Reduced:

SO5N7C19H29 (1)

Stoich.:

AB5C7D19E29 (1)

Weight, g/mol:

468.215489

ΔHf, kcal/mol:

-158.09

Dipole, Da:

9.52

IP(EA), eV:

 -8.58(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[N'-[2-(dimethylamino)ethyl]carbamimidoyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N=C(N)N=C(N)N(C)C)C(=O)O)C(C)O

DOS

IR

Vibrations