Geometry & MOs

Info

ID:	370340
PubChem CID:	127338112
Reduced:	SN3O5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	388.214427
ΔH_f, kcal/mol:	-255.34
Dipole, Da:	6.08
IP(EA), eV:	-9.72(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)NC2CCN(CC2)S(=O)(=O)C3CCOCC3)O

DOS

IR

Vibrations