Geometry & MOs

Info

ID:	419382
PubChem CID:	135108064
Reduced:	SN2O4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-222.9
Dipole, Da:	1.14
IP(EA), eV:	-8.83(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylmethyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CSC)NC(=O)C3CCCCC3

DOS

IR

Vibrations