Geometry & MOs

Info

ID:	431875
PubChem CID:	135171996
Reduced:	SO2F3N6C21H29 (1)
Stoich.:	AB2C3D6E21F29 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-194.44
Dipole, Da:	11.82
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(2-methyltetrazol-5-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)NC(=O)N)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations