Geometry & MOs

Info

ID:	35154
PubChem CID:	7979393
Reduced:	FNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	411.047812
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	3.88
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations