Geometry & MOs

Info

ID:	304583
PubChem CID:	124756349
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-79.26
Dipole, Da:	6.01
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(CCN1CC2=CN=C(S2)C3=CC=CC=C3C)CC(=O)O

DOS

IR

Vibrations