Geometry & MOs

Info

ID:	37809
PubChem CID:	8024708
Reduced:	FNO2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	2.61
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-butylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations