Geometry & MOs

Info

ID:	194244
PubChem CID:	78503457
Reduced:	FSO3N6C16H17 (1)
Stoich.:	ABC3D6E16F17 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	7.12
IP(EA), eV:	-9.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations