Geometry & MOs

Info

ID:	420023
PubChem CID:	135110806
Reduced:	F2N6O6C37H44 (1)
Stoich.:	A2B6C6D37E44 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-292.68
Dipole, Da:	4.1
IP(EA), eV:	-8.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(2-phenylmethoxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=C(C=C(C=N3)F)F)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations