Geometry & MOs

Info

ID:	419044
PubChem CID:	135107380
Reduced:	O4N5C29H33 (1)
Stoich.:	A4B5C29D33 (1)
Weight, g/mol:	383.977205
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	8.48
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(4,5-dichlorothiophen-2-yl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)NC2)C(=O)C3=CC=CC=C3)C(=O)C4=NOC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations