Geometry & MOs

Info

ID:	182200
PubChem CID:	76857309
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C=CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations