Geometry & MOs

Info

ID:	30276
PubChem CID:	841076
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	336.98845
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	3.66
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromothiophen-2-yl)propylideneamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)C

DOS

IR

Vibrations