Geometry & MOs

Info

ID:	194481
PubChem CID:	78543747
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	4.04
IP(EA), eV:	-8.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

DOS

IR

Vibrations