Geometry & MOs

Info

ID:	306169
PubChem CID:	125002157
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	401.256609
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	5.73
IP(EA), eV:	-8.53(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10R)-5-(2-hydroxy-3-methoxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCO[C@@H](C1)C2=NC(=CC=C2)N(C)C

DOS

IR

Vibrations