Geometry & MOs

Info

ID:

446666

PubChem CID:

135276783

Reduced:

SN4O4C26H31 (1)

Stoich.:

AB4C4D26E31 (1)

Weight, g/mol:

408.198383

ΔHf, kcal/mol:

-69.71

Dipole, Da:

5.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767529

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Drug info:

PubChemData

Smile

CC(C)N(CCCCOCC(=O)NCS(=O)[O-])C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations