Geometry & MOs

Info

ID:	237265
PubChem CID:	92718059
Reduced:	SO2F3N5H16C18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	5.6
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[(2S)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=N2)S[C@@H](C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations