Geometry & MOs

Info

ID:	132634
PubChem CID:	51389031
Reduced:	FSN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	370.050254
ΔH_f, kcal/mol:	64.09
Dipole, Da:	7.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872528
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CC=C3F

DOS

IR

Vibrations