Geometry & MOs

Info

ID:	395279
PubChem CID:	135025062
Reduced:	INO4C22H36 (1)
Stoich.:	ABC4D22E36 (1)
Weight, g/mol:	383.267173
ΔH_f, kcal/mol:	-209.77
Dipole, Da:	3.25
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6S,8R,9S)-2,8,9-trihydroxy-4-methyl-13-azatricyclo[7.7.0.01,6]hexadecane-13-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](/C(=C(\CCCN(CCCI)C(=O)OC(C)(C)C)/O)/C(=O)C1)CC=C

DOS

IR

Vibrations