Geometry & MOs

Info

ID:	37249
PubChem CID:	8018736
Reduced:	NF2O6C13H13 (1)
Stoich.:	AB2C6D13E13 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-331.37
Dipole, Da:	4.58
IP(EA), eV:	-10.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COCC(=O)OCC(=O)NC(=O)C1=CC=C(C=C1)OC(F)F

DOS

IR

Vibrations