Geometry & MOs

Info

ID:	8513
PubChem CID:	78768
Reduced:	SO3N5C38H45 (1)
Stoich.:	AB3C5D38E45 (1)
Weight, g/mol:	651.324312
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	7.94
IP(EA), eV:	-8.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O

DOS

IR

Vibrations