Geometry & MOs

Info

ID:	304897
PubChem CID:	124766287
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	2.14
IP(EA), eV:	-9.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,6R,7R)-2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C=CCN1[C@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations