Geometry & MOs

Info

ID:	422323
PubChem CID:	135117640
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	4.3
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CCCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations