Geometry & MOs

Info

ID:	306184
PubChem CID:	125002221
Reduced:	SO2N7C22H27 (1)
Stoich.:	AB2C7D22E27 (1)
Weight, g/mol:	429.287909
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	1.36
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10S)-5-(3-methoxy-4-propan-2-yloxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=C(C=C2)[C@H]3CCCCN3C(=O)CCCNC4=NC=CC=N4)N

DOS

IR

Vibrations