Geometry & MOs

Info

ID:	370801
PubChem CID:	127340616
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	4.35
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,2-dimethylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCCN(CC3)C4CCCC4)C

DOS

IR

Vibrations