Geometry & MOs

Info

ID:	65325
PubChem CID:	29214654
Reduced:	NOC10H17 (2)
Stoich.:	ABC10D17 (2)
Weight, g/mol:	469.194774
ΔH_f, kcal/mol:	-96.9
Dipole, Da:	4.67
IP(EA), eV:	-8.48(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)CN2CCN(C[C@@H]2CCO)CC(C)C

DOS

IR

Vibrations