Geometry & MOs

Info

ID:	139215
PubChem CID:	52493090
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	432.082702
ΔH_f, kcal/mol:	-126.72
Dipole, Da:	3.09
IP(EA), eV:	-9.83(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations