Geometry & MOs

Info

ID:	370332
PubChem CID:	127338104
Reduced:	SN3O5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	389.198442
ΔH_f, kcal/mol:	-254.63
Dipole, Da:	6.07
IP(EA), eV:	-9.75(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)NC2CCN(CC2)S(=O)(=O)C3CCOCC3)O

DOS

IR

Vibrations