Geometry & MOs

Info

ID:	195882
PubChem CID:	78745777
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	-149.8
Dipole, Da:	3.11
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(NC(=S)N3)C)C(=O)OC

DOS

IR

Vibrations