Geometry & MOs

Info

ID:	41802
PubChem CID:	8147128
Reduced:	SF2O2N3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	370.091334
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	4.62
IP(EA), eV:	-8.49(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

DOS

IR

Vibrations