Geometry & MOs

Info

ID:	30095
PubChem CID:	839885
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	311.95681
ΔH_f, kcal/mol:	11.04
Dipole, Da:	5.19
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCCC3)C(=O)C

DOS

IR

Vibrations