Geometry & MOs

Info

ID:	159227
PubChem CID:	57264448
Reduced:	NO5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	509.150823
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	0.98
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 4-hydroxy-4-(4-methylphenyl)sulfonyloxy-3-(4-oxoazetidin-2-yl)butanoate

Drug info:

PubChemData

Smile

CCC(C)(C)OOC(C)(CCCN1C(=O)C=C(C1=O)C)OC

DOS

IR

Vibrations