Geometry & MOs

Info

ID:	421711
PubChem CID:	135116459
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	5.25
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(5-fluoro-2-methoxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=O)NC(=O)N(C2=N1)C)C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations