Geometry & MOs

Info

ID:	414471
PubChem CID:	135087429
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	350.016177
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	6.95
IP(EA), eV:	-9.0(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)C

DOS

IR

Vibrations