Geometry & MOs

Info

ID:	329588
PubChem CID:	126738682
Reduced:	OC18H25 (2)
Stoich.:	AB18C25 (2)
Weight, g/mol:	360.104482
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	2.51
IP(EA), eV:	-9.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCC4C3(CCC5C4C(CC6C5(CCCC6)C)O)C

DOS

IR

Vibrations