Geometry & MOs

Info

ID:	141225
PubChem CID:	52842395
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	434.197235
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	5.05
IP(EA), eV:	-8.7(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2R,3aR,7aS)-1-(3-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C2=CC=C(O2)CCC(=O)N(C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations