Geometry & MOs

Info

ID:	415205
PubChem CID:	135088197
Reduced:	O5N7C30H37 (1)
Stoich.:	A5B7C30D37 (1)
Weight, g/mol:	340.123463
ΔH_f, kcal/mol:	-134.74
Dipole, Da:	7.34
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(3,4-difluorobenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CC(=NN3)C4=CC=CC=N4

DOS

IR

Vibrations