Geometry & MOs

Info

ID:	46680
PubChem CID:	10526203
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	421.06786
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	11.72
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-amino-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

DOS

IR

Vibrations