Geometry & MOs

Info

ID:	164233
PubChem CID:	74382479
Reduced:	SN4O7C36H60 (1)
Stoich.:	AB4C7D36E60 (1)
Weight, g/mol:	369.04767
ΔH_f, kcal/mol:	-339.28
Dipole, Da:	10.87
IP(EA), eV:	-9.37(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)C(=O)NC4CC4

DOS

IR

Vibrations