Geometry & MOs

Info

ID:	148924
PubChem CID:	53788594
Reduced:	NSO2C22H31 (1)
Stoich.:	ABC2D22E31 (1)
Weight, g/mol:	409.105605
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	3.35
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-(acetyloxymethyl)-7-[[5-(3-amino-3-oxopropyl)-1H-imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C=CSC(=O)C1CCC2=CC=CC=C2C1

DOS

IR

Vibrations