Geometry & MOs

Info

ID:	35000
PubChem CID:	7979181
Reduced:	NF2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations