Geometry & MOs

Info

ID:	160877
PubChem CID:	57390095
Reduced:	NOF2C25H29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	3.12
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[furan-2-ylmethyl-[2-[5-oxo-3-(2-prop-2-enylsulfanylpyridin-3-yl)-4H-pyrazol-1-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCN1[C@@H]2CC[C@H]1CC(=CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C2

DOS

IR

Vibrations