Geometry & MOs

Info

ID:	43910
PubChem CID:	10321971
Reduced:	NSO6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	459.171559
ΔH_f, kcal/mol:	-219.7
Dipole, Da:	2.43
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(2-benzyl-3-methoxy-3-oxopropyl)sulfonylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)/C(=C\C(=O)CCC3=CC=CC=C3)/C2=O)C(=O)OCOC(=O)C(C)(C)C)C

DOS

IR

Vibrations