Geometry & MOs

Info

ID:	302363
PubChem CID:	124361423
Reduced:	NO4C34H53 (1)
Stoich.:	AB4C34D53 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-222.93
Dipole, Da:	5.06
IP(EA), eV:	-9.27(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-oxo-1-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N(CC2=CC=CC=C2)[C@@H]3CCOC(C3)(C)C)O

DOS

IR

Vibrations