Geometry & MOs

Info

ID:	235173
PubChem CID:	92304175
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	7.41
IP(EA), eV:	-9.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(2-fluorobenzoyl)-8-methyl-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)N([C@H](CO2)C(=O)NCC3=CC=NC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations