Geometry & MOs

Info

ID:	334655
PubChem CID:	127253330
Reduced:	ClSN3O6C23H24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-179.17
Dipole, Da:	6.56
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC(=O)NC4=NC(=CS4)C

DOS

IR

Vibrations