Geometry & MOs

Info

ID:	415455
PubChem CID:	135088449
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	342.161329
ΔH_f, kcal/mol:	-155.91
Dipole, Da:	4.68
IP(EA), eV:	-9.59(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CC1)C[C@]([C@H](CO2)O)(C)NC(=O)C3=NC=CN=C3

DOS

IR

Vibrations