Geometry & MOs

Info

ID:	218893
PubChem CID:	85090124
Reduced:	SN3O7H25C26 (1)
Stoich.:	AB3C7D25E26 (1)
Weight, g/mol:	523.166473
ΔH_f, kcal/mol:	-207.94
Dipole, Da:	10.9
IP(EA), eV:	-8.79(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-(acetyloxymethyl)-7-(2,2-dimethylpropylidene)-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(=O)O)OCCOC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2NCC(=O)O

DOS

IR

Vibrations