Geometry & MOs

Info

ID:	304528
PubChem CID:	124756170
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-175.89
Dipole, Da:	8.63
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CCO)CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations