Geometry & MOs

Info

ID:	166117
PubChem CID:	74640471
Reduced:	ClSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	5.63
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations