Geometry & MOs

Info

ID:	175445
PubChem CID:	75906567
Reduced:	F2O2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	4.08
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=NC2=CC=CC=C2N1)OC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations