Geometry & MOs

Info

ID:	218782
PubChem CID:	85089965
Reduced:	SN4O5C25H40 (1)
Stoich.:	AB4C5D25E40 (1)
Weight, g/mol:	509.279767
ΔH_f, kcal/mol:	-209.55
Dipole, Da:	9.01
IP(EA), eV:	-7.68(0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[5-[2-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethylamino]-2-oxoethyl]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

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC(=O)NCCC4CC[N+](CC4)(C)C)C(=O)[O-])C(C)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC(=O)NCCC4CC[N+](CC4)(C)C)C(=O)[O-])C(C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):