Geometry & MOs

Info

ID:	194479
PubChem CID:	78543662
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	13.54
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations