Geometry & MOs

Info

ID:	355588
PubChem CID:	127289346
Reduced:	ON7C21H29 (1)
Stoich.:	AB7C21D29 (1)
Weight, g/mol:	395.173959
ΔH_f, kcal/mol:	34.52
Dipole, Da:	2.93
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-N-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]imidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations