Geometry & MOs

Info

ID:	237264
PubChem CID:	92718056
Reduced:	SO3N5H23C24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	423.09768
ΔH_f, kcal/mol:	54.26
Dipole, Da:	5.79
IP(EA), eV:	-8.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=NN(C(=O)C3=C4N2CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations