Geometry & MOs

Info

ID:	243468
PubChem CID:	99224185
Reduced:	SN2O4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	380.134068
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	6.66
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]sulfonyl-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H](N1[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OCCOC)C

DOS

IR

Vibrations