Geometry & MOs

Info

ID:	33803
PubChem CID:	7888193
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	418.109563
ΔH_f, kcal/mol:	-183.09
Dipole, Da:	4.09
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)F

DOS

IR

Vibrations