Geometry & MOs

Info

ID:	79717
PubChem CID:	49830119
Reduced:	O2S3N5H15C17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	415.128981
ΔH_f, kcal/mol:	52.04
Dipole, Da:	5.7
IP(EA), eV:	-8.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations