Geometry & MOs

Info

ID:	325851
PubChem CID:	126685298
Reduced:	ClFSN4O4C31H42 (1)
Stoich.:	ABCD4E4F31G42 (1)
Weight, g/mol:	234.103814
ΔH_f, kcal/mol:	-177.6
Dipole, Da:	6.16
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,10R)-2,2-dioxo-2lambda6-thia-1,8-diazabicyclo[4.4.1]undecan-10-yl]methanol

Drug info:

PubChemData

Smile

COC1CCC(CC1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations