Geometry & MOs

Info

ID:	307756
PubChem CID:	125308881
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-195.08
Dipole, Da:	3.18
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4R,5R,8R,10S,14S)-10,14-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@H](C(=O)N1)[C@H](CC(C)C)CC(=O)OC

DOS

IR

Vibrations