Geometry & MOs

Info

ID:	421731
PubChem CID:	135116511
Reduced:	SO4N9C35H43 (1)
Stoich.:	AB4C9D35E43 (1)
Weight, g/mol:	312.128549
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	5.92
IP(EA), eV:	-9.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)C5=CC=NC=C5)C(C)C

DOS

IR

Vibrations