Geometry & MOs

Info

ID:	182196
PubChem CID:	76857185
Reduced:	BrNSO4C15H18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	4.16
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations