Geometry & MOs

Info

ID:	69143
PubChem CID:	46520143
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	445.237685
ΔH_f, kcal/mol:	-164.45
Dipole, Da:	5.01
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)NCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations