Geometry & MOs

Info

ID:	129831
PubChem CID:	51073999
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	3.92
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(azocane-1-carbonyl)-1-methylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)C3=C(OC4=C3C(=O)NC=N4)C)SC=C2

DOS

IR

Vibrations