Geometry & MOs

Info

ID:	167948
PubChem CID:	74903940
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	396.091056
ΔH_f, kcal/mol:	-18.81
Dipole, Da:	4.29
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C2C1NC3CCN(C(=O)C3C2)C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations