Geometry & MOs

Info

ID:	146781
PubChem CID:	53748730
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	561.244999
ΔH_f, kcal/mol:	-115.95
Dipole, Da:	4.19
IP(EA), eV:	-9.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3,3-dimethyl-N-[(4-methylphenyl)methyl]-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)OC)C=C2CCSC2=O)C

DOS

IR

Vibrations