Geometry & MOs

Info

ID:	423629
PubChem CID:	135119874
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	5.78
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCNC(=O)C1CC(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations