Geometry & MOs

Info

ID:	422168
PubChem CID:	135117327
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	4.35
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)NCC2=C(N=NS2)C)S(=O)(=O)C

DOS

IR

Vibrations