Geometry & MOs

Info

ID:	245487
PubChem CID:	99445239
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	423.148032
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	1.77
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)C(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

DOS

IR

Vibrations