Geometry & MOs

Info

ID:	37672
PubChem CID:	8023018
Reduced:	SN4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	325.07897
ΔH_f, kcal/mol:	126.09
Dipole, Da:	3.27
IP(EA), eV:	-9.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoanilino)-N-[(E)-hexan-3-ylideneamino]acetamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1/C=C\2/C(=N)C(C(=N)S2)C#N

DOS

IR

Vibrations