Geometry & MOs

Info

ID:	139216
PubChem CID:	52493127
Reduced:	OS2N6H16C21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	432.082702
ΔH_f, kcal/mol:	159.74
Dipole, Da:	6.19
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)[C@@H](C#N)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations