Geometry & MOs

Info

ID:	153835
PubChem CID:	56313155
Reduced:	FN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	481.147156
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	5.45
IP(EA), eV:	-9.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations