Geometry & MOs

Info

ID:	134369
PubChem CID:	51687426
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-47.24
Dipole, Da:	4.21
IP(EA), eV:	-8.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=CC=C3

DOS

IR

Vibrations