Geometry & MOs

Info

ID:	69995
PubChem CID:	47206528
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-11.61
Dipole, Da:	5.0
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-phenylprop-2-enyl]sulfonyl-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)CC(=O)N(C)CCC#N

DOS

IR

Vibrations