Geometry & MOs

Info

ID:	77392
PubChem CID:	48428190
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	0.7
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1CCC(CC1)C(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations