Geometry & MOs

Info

ID:	392353
PubChem CID:	135014661
Reduced:	BrNO9C17H26 (1)
Stoich.:	ABC9D17E26 (1)
Weight, g/mol:	437.235479
ΔH_f, kcal/mol:	-429.96
Dipole, Da:	3.82
IP(EA), eV:	-9.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S,4Z,6R,7E)-1-benzyl-2-methyl-3,6-diphenyl-3,6-dihydro-2H-azocine-7-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1OC(=O)C)OC(=O)C)COC(=O)C)OCCCBr

DOS

IR

Vibrations