Geometry & MOs

Info

ID:	422166
PubChem CID:	135117322
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-146.89
Dipole, Da:	5.67
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=C(C=CC(=C3)C)C)O

DOS

IR

Vibrations