Geometry & MOs

Info

ID:	336195
PubChem CID:	127255202
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-178.09
Dipole, Da:	3.25
IP(EA), eV:	-9.55(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CCCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations