Geometry & MOs

Info

ID:	304701
PubChem CID:	124766072
Reduced:	N3O4C25H35 (1)
Stoich.:	A3B4C25D35 (1)
Weight, g/mol:	441.262757
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	3.46
IP(EA), eV:	-9.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC5CCCCC5)C6CC6)O3

DOS

IR

Vibrations