Geometry & MOs

Info

ID:	244717
PubChem CID:	99381152
Reduced:	OSN2C21H32 (1)
Stoich.:	ABC2D21E32 (1)
Weight, g/mol:	360.223535
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	5.82
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)CN3CCSCC3

DOS

IR

Vibrations