Geometry & MOs

Info

ID:	237281
PubChem CID:	92718083
Reduced:	ClSF3N4O4H12C16 (1)
Stoich.:	ABC3D4E4F12G16 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-246.63
Dipole, Da:	4.41
IP(EA), eV:	-9.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

DOS

IR

Vibrations