Geometry & MOs

Info

ID:	70272
PubChem CID:	48409880
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-77.2
Dipole, Da:	4.84
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C(C)NC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations