Geometry & MOs

Info

ID:	143933
PubChem CID:	53283952
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	381.139865
ΔH_f, kcal/mol:	-56.47
Dipole, Da:	4.65
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(furan-2-yl)propyl]-4-(2-phenylsulfanylethoxy)benzamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=CC=C(C=C1)OCCSC2=CC=CC=C2

DOS

IR

Vibrations